Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 8/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.34 |
| ▸ | CLPP | Q16740 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12129198 | 0.99 | DRD2 (0.40) | DRD2DRD3HRH3AKR1B1MAOB | |
| SCHEMBL1338012 | 0.95 | DRD2 (0.36) | DRD2DRD3HRH3AKR1B1MAOB | |
| SCHEMBL1335854 | 0.91 | AKR1B1 (0.37) | AKR1B1MAOBCLPP | |
| SCHEMBL3491338 | 0.91 | AKR1B1 (0.37) | AKR1B1MAOB | |
| SCHEMBL13311352 | 0.91 | AKR1B1 (0.36) | AKR1B1MAOB | |
| SCHEMBL12129209 | 0.90 | AKR1B1 (0.36) | AKR1B1MAOB | |
| SCHEMBL3491744 | 0.88 | AKR1B1 (0.35) | AKR1B1MAOB | |
| SCHEMBL1338281 | 0.88 | AKR1B1 (0.36) | AKR1B1MAOB | |
| SCHEMBL15096272 | 0.88 | AKR1B1 (0.35) | AKR1B1MAOB | |
| SCHEMBL1337305 | 0.87 | AKR1B1 (0.46) | AKR1B1MAOBHPGD |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1881825-B1 | HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME (US) | 2013-07-24 | — | — | EP | disclosed |
| US-20130178468-A1 | HIV INTEGRASE INHIBITORS | VACCA JOSEPH P (US) | 2013-07-11 | — | — | US | disclosed |
| US-20130178468-A1 | HIV INTEGRASE INHIBITORS | VACCA JOSEPH P (US) | 2013-07-11 | — | — | US | disclosed |
| US-8293731-B2 | HIV integrase inhibitors | Merck Sharp + Dohme Corp. (US) | 2012-10-23 | — | — | US | disclosed |
| US-8293731-B2 | HIV integrase inhibitors | Merck Sharp + Dohme Corp. (US) | 2012-10-23 | — | — | US | disclosed |
| US-20110275621-A1 | HIV INTEGRASE INHIBITORS | SCHERING CORPORATION | 2011-11-10 | — | — | US | disclosed |
| US-20110275621-A1 | HIV INTEGRASE INHIBITORS | SCHERING CORPORATION | 2011-11-10 | — | — | US | disclosed |
| US-7968564-B2 | HIV integrase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2011-06-28 | — | — | US | disclosed |
| US-7968564-B2 | HIV integrase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2011-06-28 | — | — | US | disclosed |
| US-20100204201-A1 | HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. | 2010-08-12 | — | — | US | disclosed |
| US-20100204201-A1 | HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. | 2010-08-12 | — | — | US | disclosed |
| US-7741315-B2 | HIV integrase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2010-06-22 | — | — | US | disclosed |
| US-7741315-B2 | HIV integrase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2010-06-22 | — | — | US | disclosed |
| US-20090054399-A1 | HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. | 2009-02-26 | — | — | US | disclosed |
| US-20090054399-A1 | HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. | 2009-02-26 | — | — | US | 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-20090054399-A1 | HIV INTEGRASE INHIBITORS | REV1, POLR1A, POLR2H | DRD2 2914/4885DRD3 1929/4885HRH3 920/4885 |
| US-20100204201-A1 | HIV INTEGRASE INHIBITORS | REV1, CDKN1A, CCNI | DRD2 3000/4885DRD3 2057/4885HRH3 766/4885 |
| US-20130178468-A1 | HIV INTEGRASE INHIBITORS | REV1, CDKN1A, CCNI | DRD2 3000/4885DRD3 2057/4885HRH3 766/4885 |
| US-20110275621-A1 | HIV INTEGRASE INHIBITORS | REV1, CDKN1A, CCNI | DRD2 3000/4885DRD3 2057/4885HRH3 766/4885 |
“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.