Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.47 |
| ▸ | ELANE | P08246 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | PLG | P00747 | 1/20 | 0.40 |
| ▸ | CTSG | P08311 | 1/20 | 0.40 |
| ▸ | CMA1 | P23946 | 1/20 | 0.40 |
| ▸ | CTRC | Q99895 | 1/20 | 0.40 |
| ▸ | EP300 | Q09472 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7386256 | 1.00 | ALDH1A1 (0.56) | ALDH1A1CYP19A1ELANEKMT2AMEN1 | |
| SCHEMBL6747735 | 0.73 | ALDH1A1 (1.00) | ALDH1A1ELANEKMT2AMEN1TSHR | |
| SCHEMBL6747736 | 0.73 | ALDH1A1 (1.00) | ALDH1A1ELANEKMT2AMEN1TSHR | |
| SCHEMBL8968925 | 0.69 | CYP19A1 (0.82) | ALDH1A1CYP19A1ELANEKMT2AMEN1 | |
| SCHEMBL12372537 | 0.66 | ALDH1A1 (0.73) | ALDH1A1ELANEKMT2AMEN1TSHR | |
| SCHEMBL1023519 | 0.66 | ALDH1A1 (0.73) | ALDH1A1ELANEKMT2AMEN1TSHR | |
| SCHEMBL13783795 | 0.66 | ALDH1A1 (0.73) | ALDH1A1ELANEKMT2AMEN1TSHR | |
| SCHEMBL584067 | 0.65 | ALDH1A1 (0.67) | ALDH1A1ELANEKMT2AMEN1TSHR | |
| SCHEMBL6096881 | 0.65 | ALDH1A1 (0.67) | ALDH1A1ELANEKMT2AMEN1TSHR | |
| SCHEMBL20274598 | 0.65 | CYP19A1 (0.47) | ALDH1A1CYP19A1ELANEKMT2AMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5409929-A | Treating psychosis, dyskinesia | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-04-25 | — | — | US | disclosed |
| WO-1993016047-A1 | HYDROISOINDOLINES AND HYDROISOQUINOLINES AS PSYCHOTROPIC DRUGS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-08-19 | — | — | WO | disclosed |
| US-5216018-A | Antidyskinetic agents | DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-06-01 | — | — | US | disclosed |