Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 11/20 | 0.68 |
| ▸ | RAB9A | P51151 | 11/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.68 |
| ▸ | SMN1; SMN2 | Q16637 | 9/20 | 0.68 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.68 |
| ▸ | PKM | P14618 | 4/20 | 0.68 |
| ▸ | TP53 | P04637 | 3/20 | 0.68 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.68 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.68 |
| ▸ | BTK | Q06187 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.55 |
| ▸ | AURKA | O14965 | 1/20 | 0.51 |
| ▸ | CDK1 | P06493 | 1/20 | 0.51 |
| ▸ | CDK2 | P24941 | 1/20 | 0.51 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.51 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.50 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.50 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.50 |
| ▸ | FLT1 | P17948 | 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 | |
|---|---|---|---|---|
| SCHEMBL172216 | 0.82 | NPC1 (1.00) | NPC1RAB9AALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL30634854 | 0.82 | NPC1 (1.00) | NPC1RAB9AALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL30561047 | 0.82 | NPC1 (1.00) | NPC1RAB9AALDH1A1KDM4ESMN1; SMN2 | |
| Water SCHEMBL9817804 | 0.80 | NPC1 (0.95) | NPC1RAB9AALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL10699127 | 0.77 | TNKS (0.61) | NPC1RAB9AALDH1A1KDM4EHSD17B10 | |
| SCHEMBL9590371 | 0.75 | MGAM (0.40) | NPC1RAB9AALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL9590411 | 0.75 | NPC1 (0.35) | NPC1RAB9AALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL28565064 | 0.74 | ALDH1A1 (0.61) | NPC1RAB9AALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL28579176 | 0.74 | ALDH1A1 (0.60) | NPC1RAB9AALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL2178266 | 0.72 | NPC1 (0.88) | NPC1RAB9AALDH1A1KDM4ESMN1; SMN2 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1206265-B1 | SRC KINASE INHIBITOR COMPOUNDS | MERCK & CO INC (US) | 2003-11-12 | — | — | EP | disclosed |
| US-6498165-B1 | PYRIMIDINE COMPOUNDS; PROPHYLAXIS AND TREATMENT OF SUCH AS IMMUNE DISEASES, HYPERPROLIFERATIVE DISORDERS, CANCER, ANGIOGENSIS, ATHEROSCELEROSIS, GRAFT REJECTION, RHEUMATOID ARTHRITIS, PSORIASIS | MERCK & CO., INC. | 2002-12-24 | — | — | US | disclosed |
| EP-1194152-A4 | SRC KINASE INHIBITOR COMPOUNDS | MERCK & CO INC (US) | 2002-11-06 | — | — | EP | disclosed |
| EP-1206260-A4 | SRC KINASE INHIBITOR COMPOUNDS | MERCK & CO INC (US) | 2002-10-30 | — | — | EP | disclosed |
| EP-1206265-A4 | SRC KINASE INHIBITOR COMPOUNDS | MERCK & CO INC (US) | 2002-08-07 | — | — | EP | disclosed |
| EP-1206260-A1 | SRC KINASE INHIBITOR COMPOUNDS | Merck & Co., Inc. (US) | 2002-05-22 | — | — | EP | disclosed |
| EP-1206265-A1 | SRC KINASE INHIBITOR COMPOUNDS | Merck & Co., Inc. (US) | 2002-05-22 | — | — | EP | disclosed |
| EP-1194152-A1 | SRC KINASE INHIBITOR COMPOUNDS | Merck & Co., Inc. (US) | 2002-04-10 | — | — | EP | disclosed |
| US-6329380-B1 | PYRIMIDINE BENZIMIDIZAZOLE, PYRIMIDINEIMIDAZOLE OR PYRIDINE IMIDAZOLE COMPOUNDS FOR ANTICANCER AGENTS OR ATHEROSCLEROSIS | MERCK & CO., INC. | 2001-12-11 | — | — | US | disclosed |
| US-6316444-B1 | SRC kinase inhibitor compounds | MERCK & CO., INC. | 2001-11-13 | — | — | US | disclosed |
| WO-2001000213-A1 | SRC KINASE INHIBITOR COMPOUNDS | MERCK & CO., INC. (US) | 2001-01-04 | — | — | WO | disclosed |
| WO-2001000214-A1 | SRC KINASE INHIBITOR COMPOUNDS | MERCK & CO., INC. (US) | 2001-01-04 | — | — | WO | disclosed |
| WO-2001000207-A1 | SRC KINASE INHIBITOR COMPOUNDS | MERCK & CO., INC. (US) | 2001-01-04 | — | — | WO | disclosed |
| US-5216003-A | Antihypoxic, antiischemic agents | G. D. SEARLE & CO. (US) | 1993-06-01 | — | — | US | disclosed |
| US-4213986-A | DERIVATIVES CONTAIN TETRAZOLE RING, TREATMENT OF PURINE METABOLIC DISORDER, ANTIURICOPATHIC | HOECHST AKTIENGESELLSCHAFT (DE) | 1980-07-22 | — | — | US | disclosed |
| US-4152440-A | DIURETICS, ANALGESICS | HOECHST AKTIENGESELLSCHAFT (DE) | 1979-05-01 | — | — | US | disclosed |