Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.65 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.59 |
| ▸ | APP | P05067 | 5/20 | 0.55 |
| ▸ | MAPT | P10636 | 5/20 | 0.55 |
| ▸ | CCNC | P24863 | 2/20 | 0.53 |
| ▸ | CDK8 | P49336 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | HPGD | P15428 | 3/20 | 0.53 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.53 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA3 | P07451 | 2/20 | 0.50 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.50 |
| ▸ | CA4 | P22748 | 2/20 | 0.50 |
| ▸ | CA6 | P23280 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL7612873 | 1.00 | BACE1 (0.65) | BACE1CYP2A6APPMAPTCCNC | |
| SCHEMBL3446464 | 0.87 | CYP2A6 (0.59) | BACE1CYP2A6APPMAPTCCNC | |
| SCHEMBL31419517 | 0.87 | CYP2A6 (0.59) | BACE1CYP2A6APPMAPTCCNC | |
| SCHEMBL3446463 | 0.87 | CYP2A6 (0.59) | BACE1CYP2A6APPMAPTCCNC | |
| SCHEMBL3221778 | 0.85 | BACE1 (0.86) | BACE1CYP2A6APPMAPTKDM4E | |
| SCHEMBL3221793 | 0.85 | BACE1 (0.86) | BACE1CYP2A6APPMAPTKDM4E | |
| SCHEMBL7621979 | 0.85 | BACE1 (0.63) | BACE1CYP2A6APPMAPTKDM4E | |
| SCHEMBL4147823 | 0.83 | BACE1 (0.78) | BACE1CYP2A6APPMAPTCCNC | |
| SCHEMBL4147831 | 0.83 | BACE1 (0.78) | BACE1CYP2A6APPMAPTCCNC | |
| SCHEMBL2508821 | 0.81 | APP (0.64) | BACE1CYP2A6APPMAPTKDM4E |
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-0165613-A2 | Process for controlling culture of recombinants | HITACHI, LTD. (JP) | 1985-12-27 | — | — | EP | claimed |
| US-6465485-B1 | SUCH AS 7-CYANO-2-(2-(1-(4-(2-INDOLYL)CARBOXAMIDO)CYCLO-HEXYL)ETHYL)-1,2,3,4 -TETRAHYDROISOQUINOLINE; ANTIPSYCHOTIC AGENTS | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-10-15 | — | — | US | disclosed |
| EP-1100495-A4 | PROPENAMIDES AS CCR5 MODULATORS | SMITHKLINE BEECHAM CORP (US) | 2002-09-25 | — | — | EP | disclosed |
| EP-1100495-A1 | PROPENAMIDES AS CCR5 MODULATORS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-05-23 | — | — | EP | disclosed |
| WO-2000006153-A1 | PROPENAMIDES AS CCR5 MODULATORS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-02-10 | — | — | WO | disclosed |
| EP-0901470-A1 | INDOLE DERIVATIVES USEFUL AS ENDOTHELIN RECEPTOR ANTAGONISTS | PFIZER INC. (US) | 1999-03-17 | — | — | EP | disclosed |
| WO-1997043260-A1 | INDOLE DERIVATIVES USEFUL AS ENDOTHELIN RECEPTOR ANTAGONISTS | PFIZER INC. (US) | 1997-11-20 | — | — | WO | disclosed |
| EP-0290145-B1 | Aliphatic carboxamides | ICI AMERICA INC (US) | 1994-10-26 | — | — | EP | disclosed |
| US-4894386-A | ANTIINFLAMMATORY AGENTS | ICI AMERICAS INC. (US) | 1990-01-16 | — | — | US | disclosed |
| EP-0290145-A1 | Aliphatic carboxamides | ZENECA INC. (US) | 1988-11-09 | — | — | EP | disclosed |
| EP-0200417-A2 | Production of protein | Takeda Chemical Industries, Ltd. (JP) | 1986-11-05 | — | — | EP | disclosed |
| EP-0176916-A2 | Process for production of gamma-interferon | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1986-04-09 | — | — | EP | disclosed |