Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL10557632 | 0.92 | RAB9A (0.39) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL10555841 | 0.91 | LMNA (0.39) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL10555395 | 0.91 | SLC6A2 (0.39) | ALDH1A1MAPTMAOAMAOBRAB9A | |
| SCHEMBL8724532 | 0.88 | RARB (0.41) | MAPTCYP2D6RAB9ACRBNLTA4H | |
| SCHEMBL8724529 | 0.88 | RARB (0.41) | MAPTCYP2D6RAB9ACRBNLTA4H | |
| SCHEMBL10554340 | 0.88 | KDM1A (0.45) | MAPTMAOAMAOBRAB9ANPC1 | |
| SCHEMBL10553030 | 0.84 | RAB9A (0.42) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL8726273 | 0.83 | KDM1A (0.39) | MAOB | |
| SCHEMBL8726274 | 0.83 | KDM1A (0.39) | MAOB | |
| SCHEMBL10553182 | 0.83 | SLC6A2 (0.38) | ALDH1A1MAPTMAOAMAOBRAB9A |
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 2 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 |