Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 8/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 7/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.33 |
| ▸ | FBP1 | P09467 | 1/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.33 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.33 |
| ▸ | METAP1 | P53582 | 1/20 | 0.33 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.31 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL102331 | 0.72 | PDPK1 (0.59) | PDPK1RAB9ALOXL2CYP2A6HSP90AA1 | |
| SCHEMBL8090148 | 0.71 | CYP19A1 (0.31) | — | |
| SCHEMBL30534095 | 0.70 | PDPK1 (0.56) | PDPK1RAB9ALOXL2CYP2A6HSP90AA1 | |
| SCHEMBL28154527 | 0.70 | PDPK1 (0.56) | PDPK1RAB9ALOXL2CYP2A6HSP90AA1 | |
| SCHEMBL31556353 | 0.70 | PDPK1 (0.56) | PDPK1RAB9ALOXL2CYP2A6HSP90AA1 | |
| SCHEMBL30632310 | 0.70 | PDPK1 (0.56) | PDPK1RAB9ALOXL2CYP2A6HSP90AA1 | |
| SCHEMBL28018590 | 0.70 | — | — | |
| SCHEMBL9382378 | 0.67 | PDPK1 (0.39) | PDPK1RAB9ALOXL2CYP2A6HSP90AA1 | |
| SCHEMBL3115338 | 0.67 | PDPK1 (0.44) | PDPK1RAB9ALOXL2CYP2A6HSP90AA1 | |
| SCHEMBL1690758 | 0.67 | PDPK1 (0.39) | PDPK1RAB9ALOXL2CYP2A6HSP90AA1 |
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-5837708-A | CARDIOVASCULAR DISORDERS OF HYPERTENSION, ISCHEMIA, ANGINA PECTORIS AND VASOSPASMS | HOFFMANN-LA ROCHE INC. (US) | 1998-11-17 | — | — | US | claimed |
| CN-110506129-A | Kit for identifying malignant tumor and application thereof | AGENCY SCIENCE TECH & RES | 2019-11-26 | — | — | CN | disclosed |
| WO-1990008145-A1 | ANTI-INFLAMMATORY 1-HETEROARYL-3-ACYL-2-OXINDOLES | PFIZER INC. (US) | 1990-07-26 | — | — | WO | disclosed |