Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | AHR | P35869 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | ELANE | P08246 | 1/20 | 0.30 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | CASP3 | P42574 | 1/20 | 0.30 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL218834 | 0.71 | TRPA1 (0.36) | KDM4EMAPK1ATM | |
| SCHEMBL11830486 | 0.67 | TRPA1 (0.35) | KDM4EMAPK1ATM | |
| SCHEMBL9268163 | 0.65 | TRPA1 (0.38) | ATMHSD17B10 | |
| Urea SCHEMBL8887503 | 0.63 | TRPA1 (0.40) | NOTUMMAPK1ATMLMNATSHR | |
| SCHEMBL311435 | 0.63 | TRPA1 (0.55) | NPC1RAB9ASMN1; SMN2AHRTP53 | |
| SCHEMBL31069530 | 0.62 | NOTUM (0.42) | NPC1RAB9ASMN1; SMN2TP53HPGD | |
| SCHEMBL9462900 | 0.60 | CYP2A6 (0.39) | NPC1RAB9ASMN1; SMN2TP53HPGD | |
| SCHEMBL3267863 | 0.58 | TSHR (0.47) | NPC1RAB9ASMN1; SMN2TP53HPGD | |
| SCHEMBL9299768 | 0.58 | TSHR (0.47) | NPC1RAB9ASMN1; SMN2TP53HPGD | |
| SCHEMBL5574276 | 0.58 | TSHR (0.47) | NPC1RAB9ASMN1; SMN2TP53HPGD |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5719140-A | ANALGESICS, PROSTAGLANDIN-E2 ANTAGONISTS | G.D. SEARLE & CO. (US) | 1998-02-17 | — | — | US | disclosed |
| EP-0696283-B1 | 2-, 3-, 4-, 5-, 6-, 7-, 8-, 9- AND/OR 10-SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE | SEARLE & CO (US) | 1997-09-17 | — | — | EP | disclosed |
| EP-0696283-A1 | 2-, 3-, 4-, 5-, 6-, 7-, 8-, 9- AND/OR 10-SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE | SEARLE & CO (US) | 1996-02-14 | — | — | EP | disclosed |
| US-5449673-A | Analgesics | G. D. SEARLE & CO. (US) | 1995-09-12 | — | — | US | disclosed |
| US-5395932-A | Analgesics, prostaglandin E2 inhibitors | G. D. SEARLE & CO. (US) | 1995-03-07 | — | — | US | disclosed |
| WO-1994025456-A1 | 2-, 3-, 4-, 5-, 6-, 7-, 8-, 9- AND/OR 10-SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE | G.D. SEARLE & CO. (US) | 1994-11-10 | — | — | WO | disclosed |
| WO-1993007132-A1 | 10-ACYL-DIBENZ(B,F)(1,4)-OXAZEPINES AND THEIR THIAZEPINES AND DIAZEPINES ANALOGUES USEFUL AS PROSTAGLANDIN ANTAGONISTS | G.D. SEARLE & CO. (US) | 1993-04-15 | — | — | WO | disclosed |