Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | CTSB | P07858 | 1/20 | 0.43 |
| ▸ | CTSS | P25774 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 1/20 | 0.43 |
| ▸ | CTSC | P53634 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL10804717 | 0.93 | TRPA1 (0.47) | TRPA1NPC1RAB9AOPRD1CYP2D6 | |
| Fumaric Acid SCHEMBL10804709 | 0.93 | TRPA1 (0.47) | TRPA1NPC1RAB9AOPRD1CYP2D6 | |
| SCHEMBL11031298 | 0.89 | RAB9A (0.52) | NPC1RAB9AOPRD1KMT2APOLB | |
| SCHEMBL11032082 | 0.87 | CARM1 (0.45) | NPC1RAB9AOPRD1KMT2ACTSB | |
| SCHEMBL10803800 | 0.85 | KMT2A (0.49) | NPC1RAB9AKMT2APOLBALOX5 | |
| Fumaric Acid SCHEMBL10804156 | 0.82 | HPGD (0.46) | NPC1RAB9AOPRD1KMT2APOLB | |
| SCHEMBL10807044 | 0.82 | OPRD1 (0.59) | OPRD1CYP2D6KCNH2 | |
| Fumaric Acid SCHEMBL10807962 | 0.82 | OPRD1 (0.41) | NPC1RAB9AOPRD1CTSS | |
| Fumaric Acid SCHEMBL10807955 | 0.82 | OPRD1 (0.41) | NPC1RAB9AOPRD1CTSS | |
| Hydrochloric Acid SCHEMBL10807864 | 0.81 | OPRD1 (0.58) | OPRD1KCNH2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1984003090-A1 | SUBSTITUTED 1-AZASPIRO AD4.5 BDDECANES AND 1-AZASPIRO AD5.5 BDUNDECANES | STRUPCZEWSKI JOSEPH T (US) | 1984-08-16 | — | — | WO | claimed |
| US-4430335-A | FORMATION FROM KETONE AND SODIUM CYANOBOROHYDRIDE | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1984-02-07 | — | — | US | claimed |