Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 3/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | CASP6 | P55212 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CATSPER1 | Q8NEC5 | 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 | |
|---|---|---|---|---|
| SCHEMBL11264376 | 0.83 | MAPK1 (0.54) | MAPK1VCAM1ALDH1A1HCAR3POLB | |
| SCHEMBL11274251 | 0.82 | VCAM1 (0.52) | MAPK1VCAM1ALDH1A1HCAR3POLB | |
| SCHEMBL11638553 | 0.82 | MAPK1 (0.49) | MAPK1VCAM1ALDH1A1HCAR3POLB | |
| SCHEMBL11273772 | 0.82 | MAPK1 (0.56) | MAPK1VCAM1ALDH1A1HCAR3POLB | |
| SCHEMBL11477470 | 0.82 | MAPK1 (0.49) | MAPK1VCAM1ALDH1A1HCAR3POLB | |
| SCHEMBL11837520 | 0.82 | MAPK1 (0.49) | MAPK1VCAM1ALDH1A1HCAR3POLB | |
| SCHEMBL11636071 | 0.81 | MAPK1 (0.53) | MAPK1MAPTNPC1RAB9AHTT | |
| SCHEMBL11637318 | 0.78 | MAPK1 (0.46) | MAPK1VCAM1ALDH1A1HCAR3POLB | |
| SCHEMBL11708615 | 0.78 | TXNRD1 (0.50) | MAPK1VCAM1ALDH1A1HCAR3POLB | |
| SCHEMBL24149183 | 0.74 | ALDH1A1 (0.43) | ALDH1A1POLBCES1MAPTNPC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE31071-E | 6-Aza-3H-1,4-benzodiazepines | DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) | 1982-11-02 | — | — | US | disclosed |
| US-4008223-A | SPASMOLYTIC, ANTIPHLOGISTIC, TRANQUILIZER | DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) | 1977-02-15 | — | — | US | disclosed |
| US-3956344-A | Process for the production of substituted 2-benzoylpyridines | DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) | 1976-05-11 | — | — | US | disclosed |