Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | AR | P10275 | 1/20 | 0.44 |
| ▸ | ABL1 | P00519 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9112617 | 0.85 | TSHR (0.45) | NPC1RAB9AKDM4EALDH1A1CYP1A2 | |
| SCHEMBL9112611 | 0.85 | TSHR (0.45) | NPC1RAB9AKDM4EALDH1A1CYP1A2 | |
| SCHEMBL2019522 | 0.84 | CYP1A2 (0.55) | KDM4EALDH1A1CYP1A2POLBMAPT | |
| SCHEMBL29643004 | 0.84 | CYP1A2 (0.55) | KDM4EALDH1A1CYP1A2POLBMAPT | |
| SCHEMBL29783679 | 0.82 | GSK3B (0.42) | NPC1RAB9AARKDM4EALDH1A1 | |
| SCHEMBL9909956 | 0.82 | GSK3B (0.42) | NPC1RAB9AARKDM4EALDH1A1 | |
| SCHEMBL14060629 | 0.79 | MDM2 (0.51) | NPC1RAB9AABL1SMN1; SMN2 | |
| SCHEMBL29197557 | 0.78 | ALDH1A1 (0.41) | NPC1RAB9AKDM4EALDH1A1CYP1A2 | |
| SCHEMBL10223082 | 0.77 | RAB9A (0.66) | NPC1RAB9ACNR2ABL1ALDH1A1 | |
| SCHEMBL2731655 | 0.76 | CNR2 (0.51) | NPC1RAB9ACNR2ABL1KDM4E |
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 |