Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNQ2 | O43526 | 1/20 | 0.57 |
| ▸ | MGLL | Q99685 | 3/20 | 0.51 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.51 |
| ▸ | NAMPT | P43490 | 1/20 | 0.48 |
| ▸ | ENPP2 | Q13822 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5200855 | 0.90 | MGLL (0.60) | KCNQ2MGLLROCK2NAMPTENPP2 | |
| SCHEMBL5202815 | 0.81 | KCNQ2 (0.61) | KCNQ2MGLLROCK2NAMPTENPP2 | |
| SCHEMBL8985906 | 0.80 | SRD5A2 (0.60) | MGLLROCK2ENPP2NPC1RAB9A | |
| SCHEMBL8985820 | 0.80 | MMP13 (0.68) | KCNQ2MGLLROCK2NAMPTNPC1 | |
| SCHEMBL5272080 | 0.77 | KCNQ2 (0.60) | KCNQ2MGLLNAMPTNPC1RAB9A | |
| SCHEMBL9688119 | 0.77 | MMP13 (0.61) | KCNQ2MGLLROCK2NAMPTNPC1 | |
| SCHEMBL30207797 | 0.74 | MGLL (0.65) | MGLLROCK2ENPP2NPC1RAB9A | |
| SCHEMBL4432278 | 0.74 | MGLL (0.65) | MGLLROCK2ENPP2NPC1RAB9A | |
| SCHEMBL5852207 | 0.73 | POLB (0.68) | MGLLROCK2NAMPTNPC1RAB9A | |
| SCHEMBL6100327 | 0.73 | ROCK2 (0.65) | MGLLROCK2NPC1RAB9AALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6197975-B1 | 7-AZABICYCLO(2.2.1)HEPTANE-7-CARBONYL-SUBSTITUTED 2-PHENYLINDOLE DERIVATIVES; SEXUAL DISORDERS; ANTICARCINOGENIC AGENTS | MERCK & CO. , INC. | 2001-03-06 | — | — | US | disclosed |
| EP-0882040-A4 | ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE | MERCK & CO INC (US) | 1999-02-10 | — | — | EP | disclosed |
| EP-0882040-A1 | ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE | Merck & Co., Inc. (US) | 1998-12-09 | — | — | EP | disclosed |
| WO-1997021707-A1 | ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE | MERCK & CO., INC. (US) | 1997-06-19 | — | — | WO | disclosed |