Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | F11 | P03951 | 1/20 | 0.37 |
| ▸ | ERN1 | O75460 | 1/20 | 0.35 |
| ▸ | CCR2 | P41597 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | TEC | P42680 | 1/20 | 0.34 |
| ▸ | GSK3A | P49840 | 1/20 | 0.34 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.34 |
| ▸ | RIOK2 | Q9BVS4 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11742279 | 0.94 | CYP2A6 (0.45) | CYP2A6TDP1F11ERN1CCR2 | |
| SCHEMBL16596062 | 0.82 | CYP2A6 (0.42) | CYP2A6TDP1F11CCR2LMNA | |
| SCHEMBL15351609 | 0.78 | CYP2A6 (0.50) | CYP2A6F11CCR2KMT2ATEC | |
| SCHEMBL29955760 | 0.78 | CYP1A2 (0.56) | CYP2A6KMT2ARAB9AVDRCYP1A2 | |
| SCHEMBL720558 | 0.78 | CYP1A2 (0.56) | CYP2A6KMT2ARAB9AVDRCYP1A2 | |
| SCHEMBL11742103 | 0.77 | TDP1 (0.33) | TDP1ERN1 | |
| SCHEMBL453913 | 0.77 | IDO1 (0.48) | CYP2A6LMNAHTTSMN1; SMN2KMT2A | |
| SCHEMBL11739548 | 0.77 | CYP1A2 (0.59) | CYP2A6LMNAMAPTSMN1; SMN2KMT2A | |
| SCHEMBL11634757 | 0.77 | CYP1A2 (0.48) | CYP2A6TDP1KMT2ARAB9AVDR | |
| SCHEMBL29058801 | 0.77 | CYP1A2 (0.48) | CYP2A6TDP1KMT2ARAB9AVDR |
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 |
|---|---|---|---|---|---|---|---|
| US-4045485-A | ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC AND ANTIPRURITIC ACTIVITY | SYNTEX CORPORATION (US) | 1977-08-30 | — | — | US | disclosed |
| US-3960936-A | ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS, SKIN DISORDERS | SYNTEX CORPORATION (PM) | 1976-06-01 | — | — | US | disclosed |
| US-3947472-A | ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIPRURITIC | SYNTEX CORPORATION (PM) | 1976-03-30 | — | — | US | disclosed |
| US-3935273-A | ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIPRURITIC | SYNTEX CORPORATION (US) | 1976-01-27 | — | — | US | disclosed |