Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.48 |
| ▸ | RAB9A | P51151 | 4/20 | 0.48 |
| ▸ | CNR2 | P34972 | 3/20 | 0.48 |
| ▸ | ABL1 | P00519 | 2/20 | 0.46 |
| ▸ | KDR | P35968 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 2/20 | 0.38 |
| ▸ | NNMT | P40261 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.36 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13893650 | 0.83 | KDR (0.47) | NPC1RAB9ACNR2ABL1KDR | |
| SCHEMBL10223082 | 0.82 | RAB9A (0.66) | NPC1RAB9ACNR2ABL1HTT | |
| SCHEMBL3146629 | 0.81 | CNR2 (0.48) | NPC1RAB9ACNR2ABL1KDR | |
| SCHEMBL3152277 | 0.81 | HTT (0.50) | NPC1RAB9ACNR2ABL1KDR | |
| SCHEMBL2731655 | 0.81 | CNR2 (0.51) | NPC1RAB9ACNR2ABL1KDR | |
| SCHEMBL30207707 | 0.81 | CNR2 (0.51) | NPC1RAB9ACNR2ABL1KDR | |
| SCHEMBL8329180 | 0.79 | CNR2 (0.53) | NPC1RAB9ACNR2ABL1KDR | |
| SCHEMBL20772445 | 0.79 | CNR2 (0.47) | NPC1RAB9ACNR2ABL1KDR | |
| SCHEMBL20772471 | 0.78 | CNR2 (0.49) | NPC1RAB9ACNR2ABL1KDR | |
| SCHEMBL3146699 | 0.78 | RAB9A (0.46) | NPC1RAB9ACNR2ABL1KDR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5972975-A | Substituted 2-aminopyridines as inhibitors of nitric oxide synthase | MERCK & CO., INC. (US) | 1999-10-26 | — | — | US | disclosed |
| EP-0789571-A4 | CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE | MERCK & CO INC (US) | 1999-04-14 | — | — | EP | disclosed |
| EP-0789571-A1 | CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE | Merck & Co., Inc. (US) | 1997-08-20 | — | — | EP | disclosed |
| WO-1996018616-A1 | SUBSTITUTED 2-AMINOPYRIDINES AS INHIBITORS OF NITRIC OXIDE SYNTHASE | MERCK & CO., INC. (US) | 1996-06-20 | — | — | WO | disclosed |
| WO-1996014844-A1 | CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE | MERCK & CO., INC. (US) | 1996-05-23 | — | — | WO | disclosed |