Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | MAPT | P10636 | 5/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | MITF | O75030 | 1/20 | 0.50 |
| ▸ | CTSB | P07858 | 1/20 | 0.50 |
| ▸ | AR | P10275 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3643443 | 0.98 | CYP1A2 (0.52) | ALDH1A1MAPTCYP1A2CYP2C19LMNA | |
| SCHEMBL8692030 | 0.88 | SIRT6 (0.52) | ALDH1A1MAPTCYP1A2CYP2C19LMNA | |
| SCHEMBL24130664 | 0.87 | HTR3A (0.50) | ALDH1A1MAPTCYP2C19LMNAGAA | |
| SCHEMBL3722707 | 0.87 | CTSB (0.53) | ALDH1A1MAPTCYP1A2CYP2C19LMNA | |
| Hydrochloric Acid SCHEMBL30481714 | 0.86 | MAPT (0.51) | ALDH1A1MAPTCYP2C19LMNAGAA | |
| SCHEMBL24130778 | 0.81 | HTT (0.53) | ALDH1A1MAPTCYP1A2CYP2C19LMNA | |
| SCHEMBL24133175 | 0.80 | KMT2A (0.41) | ALDH1A1MAPTCYP1A2CYP2C19LMNA | |
| SCHEMBL24130446 | 0.80 | MAPT (0.57) | ALDH1A1MAPTCYP1A2CYP2C19LMNA | |
| SCHEMBL30481715 | 0.80 | MAPT (0.57) | ALDH1A1MAPTCYP1A2CYP2C19LMNA | |
| SCHEMBL3799173 | 0.79 | CTSB (0.65) | ALDH1A1MAPTCYP1A2CYP2C19LMNA |
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-1987039-A2 | MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS | Brystol-Myers Squibb Company (US) | 2008-11-05 | — | — | EP | disclosed |
| WO-2007092416-A2 | MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-08-16 | — | — | WO | disclosed |