Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.55 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.55 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.50 |
| ▸ | KDM1A | O60341 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.48 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.47 |
| ▸ | WNT3A | P56704 | 1/20 | 0.47 |
| ▸ | AHR | P35869 | 4/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.47 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.47 |
| ▸ | ITGAL | P20701 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | CA6 | P23280 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL30030142 | 1.00 | CYP17A1 (0.55) | CYP17A1CYP11B1CYP11B2NPC1CYP19A1 | |
| SCHEMBL7504545 | 0.85 | BACE1 (0.48) | CYP17A1CYP11B1CYP11B2ENPP2AHR | |
| SCHEMBL6099420 | 0.85 | NPC1 (0.55) | NPC1CYP19A1KDM1AMAOAMAOB | |
| SCHEMBL9075741 | 0.84 | AHR (0.63) | CYP17A1CYP11B1CYP11B2NPC1CYP19A1 | |
| SCHEMBL13539226 | 0.82 | NPC1 (0.45) | CYP17A1CYP11B1CYP11B2NPC1CYP19A1 | |
| SCHEMBL12384488 | 0.82 | HDAC1 (0.57) | NPC1CYP19A1KDM1AMAOAMAOB | |
| SCHEMBL16741873 | 0.82 | ENPP2 (0.54) | CYP17A1CYP11B1CYP11B2NPC1ENPP2 | |
| SCHEMBL2275779 | 0.81 | CTNNB1 (0.52) | NPC1ENPP2CTNNB1WNT3ACA1 | |
| SCHEMBL6215715 | 0.81 | GRIN1 (0.50) | CYP17A1CYP11B1CYP11B2NPC1CYP19A1 | |
| SCHEMBL1570966 | 0.80 | KDM1A (0.47) | CYP17A1CYP11B1CYP11B2NPC1CYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998001136-A1 | FORMULATIONS OF VESICANT DRUGS AND METHODS OF USE THEREOF | BAYLOR COLLEGE OF MEDICINE (US) | 1998-01-15 | — | — | WO | disclosed |
| US-5637593-A | MIGRAINE; HYPOTENSIVE AGENTS | SMITHKLINE BEECHAM PLC (GB) | 1997-06-10 | — | — | US | disclosed |
| EP-0758320-A1 | TRYPTAMINE DERIVATIVES AS 5-HT-1D RECEPTOR LIGANDS | Allelix Biopharmaceuticals Inc. (CA) | 1997-02-19 | — | — | EP | disclosed |
| US-5504101-A | TRYPTAMINE ANALOGS | ALLELIX BIOPHARMACEUTICALS, INC. (CA) | 1996-04-02 | — | — | US | disclosed |
| WO-1995030655-A1 | TRYPTAMINE DERIVATIVES AS 5-HT-1D RECEPTOR LIGANDS | ALLELIX BIOPHARMACEUTICALS INC. (CA) | 1995-11-16 | — | — | WO | disclosed |
| EP-0674619-A1 | TRYPTAMINE ANALOGUES AS 5-HT 1?-LIKE AGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1995-10-04 | — | — | EP | disclosed |
| WO-1994014770-A1 | TRYPTAMINE ANALOGUES AS 5-HT1-LIKE AGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1994-07-07 | — | — | WO | disclosed |