Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 1/20 | 0.57 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.54 |
| ▸ | NPFFR1 | Q9GZQ6 | 5/20 | 0.54 |
| ▸ | NPFFR2 | Q9Y5X5 | 5/20 | 0.54 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.54 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.54 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.54 |
| ▸ | FAAH | O00519 | 1/20 | 0.53 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.51 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.51 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA5A | P35218 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7830278 | 0.91 | ALDH1A1 (0.63) | ALDH1A1CYP2D6KDM4EMAPTRAB9A | |
| SCHEMBL2996293 | 0.88 | CYP2D6 (0.68) | ALDH1A1CYP2D6KDM4EMAPTNPFFR1 | |
| SCHEMBL3939085 | 0.87 | CYP2D6 (0.65) | ALDH1A1CYP2D6NPFFR1NPFFR2OPRK1 | |
| SCHEMBL20187124 | 0.86 | ALDH1A1 (0.58) | ALDH1A1CYP2D6KDM4ENPFFR1NPFFR2 | |
| SCHEMBL20187134 | 0.86 | CYP2D6 (0.58) | ALDH1A1CYP2D6NPFFR1NPFFR2OPRK1 | |
| SCHEMBL7831915 | 0.86 | ALDH1A1 (0.54) | ALDH1A1CYP2D6KDM4EMAPTRAB9A | |
| SCHEMBL11564966 | 0.86 | NPFFR1 (0.64) | ALDH1A1CYP2D6KDM4EMAPTRAB9A | |
| SCHEMBL16876743 | 0.84 | CYP2D6 (0.57) | ALDH1A1CYP2D6KDM4EMAPTNPFFR1 | |
| SCHEMBL11566812 | 0.84 | UBE2M (0.57) | ALDH1A1CYP2D6KDM4EMAPTDCUN1D1 | |
| SCHEMBL16876740 | 0.83 | CYP2D6 (0.60) | ALDH1A1CYP2D6NPFFR1NPFFR2OPRK1 |
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-0921125-B1 | 1,3,8-Triazaspiro[4,5]decan-4-on derivatives | HOFFMANN LA ROCHE (CH) | 2002-01-30 | — | — | EP | disclosed |
| EP-1087770-A4 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO INC (US) | 2001-11-14 | — | — | EP | disclosed |
| EP-0944388-A4 | INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | MERCK & CO INC (US) | 2001-08-16 | — | — | EP | disclosed |
| US-6248756-B1 | Inhibitors of farnesyl-protein transferase | MERCK & CO., INC. | 2001-06-19 | — | — | US | disclosed |
| EP-1087770-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | Merck & Co., Inc. (US) | 2001-04-04 | — | — | EP | disclosed |
| US-6172076-B1 | HETEROCYCLE-SUBSTITUTED 1,3,8-TRIAZASPIRO(4,5)DECANE DERIVATIVES; TREATING ARTERIOSCLEROSIS | MERCK & CO., INC. | 2001-01-09 | — | — | US | disclosed |
| US-6043366-A | USEFUL IN TREATING DISORDERS INVOLVING THE ORPHANIN FQ(A SEVENTEEN AMINO ACID LONG PEPTIDE) RECEPTOR. | HOFFMAN-LA ROCHE INC. (US) | 2000-03-28 | — | — | US | disclosed |
| WO-1999065494-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 1999-12-23 | — | — | WO | disclosed |
| EP-0944388-A2 | INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | Merck & Co., Inc. (US) | 1999-09-29 | — | — | EP | disclosed |
| EP-0921125-A1 | 1,3,8-Triaza-spiro 4,5 decan-4-on derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1999-06-09 | — | — | EP | disclosed |
| US-5891889-A | Inhibitors of farnesyl-protein transferase | MERCK & CO., INC. (US) | 1999-04-06 | — | — | US | disclosed |
| WO-1997038665-A2 | INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 1997-10-23 | — | — | WO | disclosed |