Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 1/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.53 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.53 |
| ▸ | MAOA | P21397 | 1/20 | 0.53 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.53 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.53 |
| ▸ | MDH1 | P40925 | 1/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.53 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.53 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 4/20 | 0.39 |
| ▸ | IDH1 | O75874 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | TNFSF11 | O14788 | 2/20 | 0.38 |
| ▸ | TNF | P01375 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9036267 | 0.90 | ADRA2A (0.53) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| SCHEMBL8985916 | 0.90 | ADRA2A (0.53) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| SCHEMBL9037116 | 0.89 | ADRA2A (0.53) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| SCHEMBL9036400 | 0.89 | ADRA2A (0.53) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| SCHEMBL8923783 | 0.88 | GFER (0.42) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| SCHEMBL9037801 | 0.88 | GFER (0.55) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| SCHEMBL8985918 | 0.88 | ALDH1A1 (0.52) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| SCHEMBL9038498 | 0.87 | ADRA2A (0.55) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| SCHEMBL8795351 | 0.87 | ADRA2A (0.49) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| SCHEMBL7811157 | 0.86 | ADRA2A (0.54) | ADRA2AADORA3CHRM1MAOATBXA2R |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0507861-B1 | DIAROMATIC SUBSTITUTED ANTI-AIDS COMPOUNDS | UPJOHN CO (US) | 1996-09-11 | — | — | EP | claimed |
| WO-1991009849-A1 | DIAROMATIC SUBSTITUTED ANTI-AIDS COMPOUNDS | THE UPJOHN COMPANY (US) | 1991-07-11 | — | — | WO | claimed |
| US-7462608-B2 | Non nucleoside reverse transcriptase inhibitors | GILEAD SCIENCES, INC. (US) | 2008-12-09 | — | — | US | disclosed |
| US-20070190523-A1 | Method and compositions for identifying anti-hiv therapeutic compounds | GILEAD SCIENCES, INC. | 2007-08-16 | — | — | US | disclosed |
| EP-1575486-A4 | METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS | GILEAD SCIENCES INC (US) | 2007-02-28 | — | — | EP | disclosed |
| WO-2005064008-A9 | METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS | GILEAD SCIENCES INC (US) | 2006-09-28 | — | — | WO | disclosed |
| US-20060128692-A1 | Non nucleoside reverse transcriptase inhibitors | GILEAD SCIENCES, INC (US) | 2006-06-15 | — | — | US | disclosed |
| US-20060115815-A1 | Method and compositions for identifying anti-hiv therapeutic compounds | GILEAD SCIENCES, INC. | 2006-06-01 | — | — | US | disclosed |
| US-20050239054-A1 | Method and compositions for identifying anti-HIV therapeutic compounds | GILEAD SCIENCES. INC. | 2005-10-27 | — | — | US | disclosed |
| EP-1575486-A2 | METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2005-09-21 | — | — | EP | disclosed |
| US-20050197320-A1 | Non nucleoside reverse transcriptase inhibitors | GILEAD SCIENCES, INC. | 2005-09-08 | — | — | US | disclosed |
| US-20040121316-A1 | Method and compositions for identifying anti-HIV therapeutic compounds | GILEAD SCIENCES, INC. | 2004-06-24 | — | — | US | disclosed |
| WO-2003090691-A2 | METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2003-11-06 | — | — | WO | disclosed |
| US-5599930-A | Substituted indoles as anti-AIDS pharmaceuticals | THE UPJOHN COMPANY (US) | 1997-02-04 | — | — | US | disclosed |
| EP-0594702-B1 | SUBSTITUTED INDOLES AS ANTI-AIDS PHARMACEUTICALS | UPJOHN CO (US) | 1997-01-29 | — | — | EP | disclosed |
| WO-1993001181-A1 | SUBSTITUTED INDOLES AS ANTI-AIDS PHARMACEUTICALS | THE UPJOHN COMPANY (US) | 1993-01-21 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060128692-A1 | Non nucleoside reverse transcriptase inhibitors | TYMP, PNP, ITPA | ADRA2A 4637/4885ADORA3 1844/4885CHRM1 4841/4885 |
| US-20040121316-A1 | Method and compositions for identifying anti-HIV therapeutic compounds | CES1, PNP, PGLS | ADRA2A 4694/4885ADORA3 1979/4885CHRM1 4271/4885 |
| US-20050239054-A1 | Method and compositions for identifying anti-HIV therapeutic compounds | CES1, PNP, PGLS | ADRA2A 4694/4885ADORA3 1979/4885CHRM1 4271/4885 |
| US-20050197320-A1 | Non nucleoside reverse transcriptase inhibitors | TYMP, PNP, ITPA | ADRA2A 4637/4885ADORA3 1844/4885CHRM1 4841/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.