Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.55 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | DRD4 | P21917 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | PDE2A | O00408 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL19368224 | 0.92 | CHRNB2 (0.60) | CHRNB2CHRNA4KDM4EKMT2AALDH1A1 | |
| SCHEMBL9976593 | 0.92 | CHRNB2 (0.62) | CHRNB2CHRNA4KDM4EKMT2AALDH1A1 | |
| SCHEMBL9976598 | 0.82 | PKM (0.51) | KDM4EKMT2AALDH1A1TRPV6SIGMAR1 | |
| SCHEMBL13676573 | 0.82 | ACHE (0.57) | KDM4EKMT2AALDH1A1SIGMAR1DRD2 | |
| SCHEMBL13005299 | 0.82 | ACHE (0.57) | KDM4EKMT2AALDH1A1SIGMAR1DRD2 | |
| SCHEMBL13676574 | 0.82 | ACHE (0.57) | KDM4EKMT2AALDH1A1SIGMAR1DRD2 | |
| SCHEMBL14197746 | 0.81 | CHRNB2 (0.59) | CHRNB2CHRNA4KDM4EKMT2AALDH1A1 | |
| SCHEMBL938061 | 0.80 | CHRNB2 (0.61) | CHRNB2CHRNA4KDM4EKMT2AALDH1A1 | |
| Dimethylamine SCHEMBL27829630 | 0.78 | BACE1 (0.53) | ALDH1A1 | |
| SCHEMBL6398126 | 0.78 | CHRNB2 (0.59) | CHRNB2CHRNA4KDM4EKMT2AALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9884048-B2 | ERK inhibitors | MERCK SHARP & DOHME CORP. (US) | 2018-02-06 | — | — | US | disclosed |
| US-20170266167-A1 | ERK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2017-09-21 | — | — | US | disclosed |
| US-8202887-B2 | 2-(substituted-amino)-benzothiazole sulfonamide HIV protease inhibitors | JANSSEN R&D IRELAND (IE) | 2012-06-19 | — | — | US | disclosed |
| US-20090209583-A1 | 2-(SUBSTITUTED-AMINO)-BENZOTHIAZOLE SULFONAMIDE HIV PROTEASE INHIBITORS | JANSSEN SCIENCES IRELAND UC (IE) | 2009-08-20 | — | — | 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 (2 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-20090209583-A1 | 2-(SUBSTITUTED-AMINO)-BENZOTHIAZOLE SULFONAMIDE HIV PROTEASE INHIBITORS | SPINT2, PEPD, DNPEP | CHRNB2 4870/4885CHRNA4 4876/4885KDM4E 486/4885 |
| US-20170266167-A1 | ERK INHIBITORS | MAPK1, MAPK3, MAPK6 | CHRNB2 4135/4885CHRNA4 4486/4885KDM4E 2007/4885 |
“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.