Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 2/20 | 0.55 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 2/20 | 0.47 |
| ▸ | HTR2B | P41595 | 2/20 | 0.47 |
| ▸ | MAOA | P21397 | 2/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 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 | |
|---|---|---|---|---|
| SCHEMBL19383233 | 0.85 | CYP17A1 (0.57) | CYP17A1NPC1RAB9AALDH1A1MAPT | |
| SCHEMBL8160351 | 0.85 | CYP17A1 (0.57) | CYP17A1NPC1RAB9AALDH1A1MAPT | |
| SCHEMBL10900011 | 0.83 | CYP17A1 (0.50) | CYP17A1NPC1RAB9AALDH1A1MAPT | |
| SCHEMBL7166658 | 0.82 | CYP17A1 (0.55) | CYP17A1NPC1RAB9AALDH1A1MAPT | |
| SCHEMBL9261363 | 0.81 | CYP17A1 (0.54) | CYP17A1NPC1RAB9AALDH1A1MAPT | |
| SCHEMBL28794469 | 0.81 | SRD5A2 (0.53) | CYP17A1NPC1RAB9AALDH1A1MAPT | |
| SCHEMBL8610358 | 0.81 | CYP17A1 (0.51) | CYP17A1NPC1RAB9AALDH1A1MAPT | |
| SCHEMBL7344324 | 0.81 | CYP17A1 (0.51) | CYP17A1NPC1RAB9AALDH1A1MAPT | |
| SCHEMBL8606586 | 0.81 | SRD5A2 (0.51) | CYP17A1NPC1RAB9AALDH1A1MAPT | |
| Cicloprofen SCHEMBL42839 | 0.80 | PTGS2 (0.56) | CYP17A1NPC1RAB9AMAPTHPGD |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6372930-B1 | POLYMERIC LIGAND HAVING UNITS CONTAINING AT LEAST ONE BRIDGED CYCLOPENTADIENYL-TYPE GROUP INCLUDING AT LEAST ONE FLUORENYL-TYPE GROUP | PHILLIPS PETROLEUM COMPANY | 2002-04-16 | — | — | US | disclosed |
| US-6124414-A | POLYMERIC METALLOCENE CATALYST WHICH IS PREPARED BY POLYMERIZING A 2-VINYLFLUORENE OR BY REACTING FLUORENE COMPOUND WITH CHLOROMETHYLMETHYLETHER, REACTING THE POLYMER WITH ALKALI METAL AND THEN WITH TRANSITIONAL METAL COMPOUND | PHILLIPS PETROLEUM COMPANY (US) | 2000-09-26 | — | — | US | disclosed |
| US-6090950-A | Chiral hydride complexes | ZEELAND CHEMICALS, INC. (US) | 2000-07-18 | — | — | US | disclosed |
| US-6057410-A | COMPLEXING FOR POLYMERIZATION CATALYSTS A PENTADIENYL LIGAND AND POLYMERIZATION WITH INITIATORS | PHILLIPS PETROLEUM COMPANY (US) | 2000-05-02 | — | — | US | disclosed |
| US-6040402-A | PRODUCT OF REACTING A FLUORENYL-CONTAINING POLYMER WITH AN ALKALI METAL COMPOUND; AND REACTING THE PRODUCT OF STEP WITH A TRANSITION METAL-CONTAINING COMPOUND. | PHILLIPS PETROLEUM COMPANY (US) | 2000-03-21 | — | — | US | disclosed |
| US-5807880-A | ANTICANCER AGENTS; DISEASES OF PROSTATE GLAND, MAMMARY GLANDS; ENDOMETRIOSIS | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1998-09-15 | — | — | US | disclosed |
| US-5770755-A | REACTION OF TRANSITION METAL COMPOUND WITH POLYMER CONTAINING CYCLOPENTADIENE, INDENE, OR FLUORENE GROUPS | PHILLIPS PETROLEUM COMPANY (US) | 1998-06-23 | — | — | US | disclosed |
| WO-1998007653-A1 | CHIRAL HYDRIDE COMPLEXES | ZEELAND CHEMICALS, INC. (US) | 1998-02-26 | — | — | WO | disclosed |
| CN-1131944-A | Azole derivative and pharmachutical composition thereof | YAMANOUCHI PHARMACUETICAL CO L (JP) | 1996-09-25 | — | — | CN | disclosed |
| EP-0721943-A1 | AZOLE DERIVATIVE AND PHARMACEUTICAL COMPOSITION THEREOF | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1996-07-17 | — | — | EP | disclosed |