Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | MEN1 | O00255 | 4/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 4/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 6/20 | 0.48 |
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7428203 | 0.93 | ALDH1A1 (0.53) | ALDH1A1MEN1KMT2AMAPTKDM4E | |
| SCHEMBL8206929 | 0.92 | ALDH1A1 (0.56) | ALDH1A1MEN1KMT2AMAPTKDM4E | |
| SCHEMBL8245383 | 0.90 | ROCK2 (0.52) | ALDH1A1MEN1KMT2AMAPTSMN1; SMN2 | |
| SCHEMBL8209588 | 0.89 | LMNA (0.50) | ALDH1A1MEN1KMT2AMAPTKDM4E | |
| SCHEMBL7893018 | 0.84 | NR1H4 (0.56) | ALDH1A1MEN1KMT2AMAPTKDM4E | |
| SCHEMBL8207045 | 0.84 | ALDH1A1 (0.53) | ALDH1A1MEN1KMT2AMAPTKDM4E | |
| SCHEMBL8206984 | 0.83 | ALDH1A1 (0.54) | ALDH1A1MEN1KMT2AMAPTKDM4E | |
| SCHEMBL8199066 | 0.83 | LMNA (0.52) | MEN1KMT2AMAPTSMN1; SMN2HPGD | |
| SCHEMBL7888438 | 0.82 | ROCK2 (0.52) | ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A | |
| SCHEMBL8200394 | 0.81 | HPGD (0.55) | ALDH1A1MEN1KMT2AMAPTKDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6143777-A | ENZYME INHIBITORS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2000-11-07 | — | — | US | disclosed |