Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.46 |
| ▸ | RAB9A | P51151 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | TP53 | P04637 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | PKM | P14618 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | GUSB | P08236 | 1/20 | 0.35 |
| ▸ | METAP2 | P50579 | 1/20 | 0.35 |
| ▸ | METAP1 | P53582 | 1/20 | 0.35 |
| ▸ | CBFB | Q13951 | 1/20 | 0.35 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5696956 | 0.85 | TGFBR1 (0.43) | HSD17B10ALDH1A1L3MBTL1GAAMAPK1 | |
| SCHEMBL25822607 | 0.81 | NPC1 (0.42) | NPC1KDM4EHSD17B10RAB9AALDH1A1 | |
| SCHEMBL5697021 | 0.80 | DYRK1A (0.40) | NPC1KDM4EHSD17B10RAB9AALDH1A1 | |
| SCHEMBL5138250 | 0.78 | NPC1 (0.51) | NPC1KDM4EHSD17B10RAB9AALDH1A1 | |
| SCHEMBL5138443 | 0.78 | TGFBR1 (0.46) | NPC1KDM4ERAB9ASMN1; SMN2PKM | |
| SCHEMBL5138585 | 0.77 | TDO2 (0.47) | NPC1KDM4EHSD17B10ALDH1A1TP53 | |
| SCHEMBL5696918 | 0.76 | L3MBTL1 (0.48) | NPC1RAB9ASMN1; SMN2L3MBTL1GAA | |
| SCHEMBL5139212 | 0.75 | DYRK1A (0.40) | NPC1KDM4EHSD17B10RAB9AALDH1A1 | |
| SCHEMBL5200922 | 0.75 | TDO2 (0.47) | NPC1KDM4ETGFBR1 | |
| SCHEMBL6180369 | 0.75 | TGFBR1 (0.59) | NPC1KDM4ETP53PKMTGFBR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1656367-A1 | 4- (HETEROCYCLYL- FUSED PHENYL)- 3- (PHENYL OR PYRID -2- YL) PYRAZOLES AS INHIBITORS OF THE ALK-5- RECEPTOR | SmithKline Beecham Corporation (US) | 2006-05-17 | — | — | EP | claimed |
| WO-2004111036-A1 | 4- (HETEROCYCLYL- FUSED PHENYL)- 3- (PHENYL OR PYRID -2- YL) PYRAZOLES AS INHIBITORS OF THE ALK-5- RECEPTOR | SMITHKLINE BEECHAM CORPORATION (US) | 2004-12-23 | — | — | WO | claimed |
| EP-1656367-A1 | 4- (HETEROCYCLYL- FUSED PHENYL)- 3- (PHENYL OR PYRID -2- YL) PYRAZOLES AS INHIBITORS OF THE ALK-5- RECEPTOR | SmithKline Beecham Corporation (US) | 2006-05-17 | — | — | EP | disclosed |
| WO-2004111036-A1 | 4- (HETEROCYCLYL- FUSED PHENYL)- 3- (PHENYL OR PYRID -2- YL) PYRAZOLES AS INHIBITORS OF THE ALK-5- RECEPTOR | SMITHKLINE BEECHAM CORPORATION (US) | 2004-12-23 | — | — | WO | disclosed |