Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 8/20 | 0.53 |
| ▸ | NPC1 | O15118 | 7/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.51 |
| ▸ | RELA | Q04206 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.47 |
| ▸ | CDK2 | P24941 | 2/20 | 0.47 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3419889 | 0.87 | HTT (0.45) | RAB9ANPC1SMN1; SMN2TP53ALDH1A1 | |
| SCHEMBL3418472 | 0.85 | RXFP1 (0.57) | RAB9ANPC1SMN1; SMN2TP53TSHR | |
| SCHEMBL7157005 | 0.83 | NPC1 (0.51) | RAB9ANPC1KDM4E | |
| SCHEMBL3937976 | 0.83 | CCNA2 (0.57) | RAB9ANPC1SMN1; SMN2TP53POLB | |
| SCHEMBL696662 | 0.83 | KMT2A (0.58) | RAB9ANPC1HDAC6CCNA2CDK2 | |
| SCHEMBL3421843 | 0.83 | CACNA1B (0.55) | RAB9ANPC1SMN1; SMN2TP53TSHR | |
| SCHEMBL3422879 | 0.81 | GRM5 (0.61) | RAB9ANPC1SMN1; SMN2TP53HDAC6 | |
| SCHEMBL3419853 | 0.81 | GAA (0.55) | RAB9ATP53ALDH1A1GAAKDM4E | |
| SCHEMBL3420311 | 0.81 | NPC1 (0.59) | RAB9ANPC1SMN1; SMN2GAAPOLB | |
| SCHEMBL14082336 | 0.80 | NPC1 (0.52) | RAB9ANPC1SMN1; SMN2TP53ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1968937-A | Pyrimidin-4-one derivatives and their use as P38 kinase modulators | PHARMACIA CORP (US) | 2007-05-23 | — | — | CN | disclosed |
| EP-1320531-A2 | BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | Pharmacia Italia S.p.A. (IT) | 2003-06-25 | — | — | EP | disclosed |
| WO-2002012242-A2 | BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | PHARMACIA ITALIA S.P.A. (IT) | 2002-02-14 | — | — | WO | disclosed |