Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.36 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.36 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.36 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.36 |
| ▸ | NQO1 | P15559 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | TLR4 | O00206 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 3/20 | 0.33 |
| ▸ | MAOB | P27338 | 3/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10552203 | 1.00 | RAB9A (0.36) | RAB9ANPC1CASP3SENP8NLRP3 | |
| SCHEMBL10552194 | 1.00 | RAB9A (0.36) | RAB9ANPC1CASP3SENP8NLRP3 | |
| SCHEMBL10549876 | 0.93 | RAB9A (0.39) | RAB9ANPC1CASP3SENP8NLRP3 | |
| SCHEMBL10549871 | 0.93 | RAB9A (0.39) | RAB9ANPC1CASP3SENP8NLRP3 | |
| SCHEMBL10549880 | 0.93 | RAB9A (0.39) | RAB9ANPC1CASP3SENP8NLRP3 | |
| SCHEMBL10554974 | 0.91 | RAB9A (0.38) | RAB9ANPC1CASP3SENP8NLRP3 | |
| SCHEMBL10554960 | 0.91 | RAB9A (0.38) | RAB9ANPC1CASP3SENP8NLRP3 | |
| SCHEMBL10554967 | 0.91 | RAB9A (0.38) | RAB9ANPC1CASP3SENP8NLRP3 | |
| SCHEMBL10551051 | 0.91 | RAB9A (0.39) | RAB9ANPC1TLR4CYP2C9MAOA | |
| SCHEMBL10551042 | 0.91 | RAB9A (0.39) | RAB9ANPC1TLR4CYP2C9MAOA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0215120-B1 | CYCLOHEXANE DERIVATIVES | MERCK PATENT GmbH (DE) | 1989-08-23 | — | — | EP | disclosed |
| US-4846998-A | LIQUID CRYSTALS, ESTERS, NITRILES; ETHERS, HYDROCARBONS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1989-07-11 | — | — | US | disclosed |
| EP-0215120-A1 | CYCLOHEXANE DERIVATIVES. | MERCK PATENT GMBH (DE) | 1987-03-25 | — | — | EP | disclosed |
| WO-1986005486-A1 | CYCLOHEXANE DERIVATIVES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1986-09-25 | — | — | WO | disclosed |