Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 7/20 | 0.49 |
| ▸ | CDC42BPB | Q9Y5S2 | 7/20 | 0.49 |
| ▸ | ROCK2 | O75116 | 6/20 | 0.49 |
| ▸ | CDC42BPA | Q5VT25 | 3/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | METAP1 | P53582 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | SMARCA2 | P51531 | 2/20 | 0.32 |
| ▸ | SMARCA4 | P51532 | 2/20 | 0.32 |
| ▸ | PBRM1 | Q86U86 | 2/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3760229 | 0.76 | KDM4E (0.43) | HPGDKEAP1RAB9ANPC1ALDH1A1 | |
| SCHEMBL6850968 | 0.75 | KDM4E (0.44) | METAP1RAB9ANPC1ALDH1A1MAPK1 | |
| SCHEMBL3756163 | 0.74 | KDM4E (0.41) | HPGDKEAP1RAB9ANPC1ALDH1A1 | |
| SCHEMBL3762327 | 0.71 | KDM4E (0.38) | ROCK1CDC42BPBROCK2HPGDKEAP1 | |
| SCHEMBL23850971 | 0.70 | S100B (0.49) | ROCK1CDC42BPBROCK2DHFRKEAP1 | |
| SCHEMBL4235717 | 0.70 | CHKA (0.38) | ROCK1CDC42BPBROCK2CDC42BPAHPGD | |
| SCHEMBL15415550 | 0.70 | CHKA (0.38) | ROCK1CDC42BPBROCK2CDC42BPAHPGD | |
| SCHEMBL14941440 | 0.66 | GAA (0.38) | ROCK1CDC42BPBROCK2CDC42BPAKEAP1 | |
| SCHEMBL21326594 | 0.66 | ALDH1A1 (0.40) | ROCK1CDC42BPBROCK2CDC42BPAKEAP1 | |
| SCHEMBL24673119 | 0.66 | ROCK1 (1.00) | ROCK1CDC42BPBROCK2CDC42BPA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011103091-A1 | PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF | TRANSTECH PHARMA, INC. (US) | 2011-08-25 | — | — | WO | disclosed |