Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | ANPEP | P15144 | 1/20 | 0.34 |
| ▸ | MIF | P14174 | 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 | |
|---|---|---|---|---|
| SCHEMBL7305703 | 1.00 | BRD4 (0.38) | BRD4CYP3A4CYP1A2CYP2D6TSHR | |
| SCHEMBL7305695 | 1.00 | BRD4 (0.38) | BRD4CYP3A4CYP1A2CYP2D6TSHR | |
| SCHEMBL17761798 | 0.92 | CYP3A4 (0.37) | BRD4CYP3A4CYP1A2CYP2D6TSHR | |
| SCHEMBL6776145 | 0.92 | CYP3A4 (0.37) | BRD4CYP3A4CYP1A2CYP2D6TSHR | |
| SCHEMBL17756079 | 0.87 | ALDH1A1 (0.39) | BRD4CYP3A4CYP1A2CYP2D6TSHR | |
| SCHEMBL17756081 | 0.87 | ALDH1A1 (0.36) | BRD4CYP3A4CYP1A2CYP2D6TSHR | |
| SCHEMBL8649386 | 0.86 | CYP3A4 (0.36) | BRD4CYP3A4CYP1A2CYP2D6TSHR | |
| SCHEMBL9957179 | 0.81 | — | — | |
| SCHEMBL2372196 | 0.78 | BRD4 (0.44) | BRD4CYP3A4CYP1A2CYP2D6TSHR | |
| SCHEMBL9004746 | 0.78 | BRD4 (0.39) | BRD4CYP3A4CYP1A2CYP2D6TSHR |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0454121-B1 | Azatetracyclic compounds | SEARLE & CO (US) | 1996-11-13 | — | — | EP | claimed |
| US-5223613-A | Prepared from cyclopenta(c)pyrrole derivatives; drug intermediates; antiemetics, anixiolytics | G. D. SEARLE & CO. (US) | 1993-06-29 | — | — | US | claimed |
| EP-0454121-A2 | Azatetracyclic compounds | G.D. Searle & Co. (US) | 1991-10-30 | — | — | EP | claimed |
| US-5717098-A | GAMMA-LACTONE CHEMICAL INTERMEDIATE, USED TO PRODUCE A SINGLE ENANTIOMER OF AMINOAZANORADAMANTANE WHICH IS COUPLED TO AROMATIC ACID DERIVEATIVE TO PRODUCE A COMPOUND USEFUL AS 5-HT-AGONISTS OR ANTAGONSITS | G. D. SEARLE & CO. (US) | 1998-02-10 | — | — | US | disclosed |
| US-5650535-A | FORMING NORBORNENE BY CHEMICAL CONDENSATION OF UNSATURATED ESTER WITH CYCLOPENTADIENE IN TRIETHYLAMINE | G. D. SEARLE & CO. (US) | 1997-07-22 | — | — | US | disclosed |
| EP-0454121-B1 | Azatetracyclic compounds | SEARLE & CO (US) | 1996-11-13 | — | — | EP | disclosed |
| US-5541344-A | 5-HT AGONISTS, ANTAGONISTS, IODINATED TRICYLIC LACTONES | G. D. SEARLE & CO. (US) | 1996-07-30 | — | — | US | disclosed |
| US-RE35218-E | FOR GASTROINTESTINAL DISORDERS | G. D. SEARLE & CO. (US) | 1996-04-23 | — | — | US | disclosed |
| WO-1996000729-A2 | PROCESS FOR THE PREPARATION OF AZANORADAMANTANE BENZAMIDES | G.D. SEARLE & CO. (US) | 1996-01-11 | — | — | WO | disclosed |
| US-5223613-A | Prepared from cyclopenta(c)pyrrole derivatives; drug intermediates; antiemetics, anixiolytics | G. D. SEARLE & CO. (US) | 1993-06-29 | — | — | US | disclosed |
| US-5140023-A | Serontonin antagonist; gastrointestinal and psychological disorders; analgesics; antidepressants | G. D. SEARLE & CO. (US) | 1992-08-18 | — | — | US | disclosed |
| EP-0454121-A2 | Azatetracyclic compounds | G.D. Searle & Co. (US) | 1991-10-30 | — | — | EP | disclosed |