Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CHIA | Q9BZP6 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9639717 | 0.94 | PARP1 (0.45) | PARP1TSHRHSD17B10ALDH1A1CHIA | |
| SCHEMBL9755187 | 0.88 | PARP1 (0.50) | PARP1TSHRALDH1A1CHIAMEN1 | |
| SCHEMBL9640899 | 0.86 | PARP1 (0.52) | PARP1CHIAMEN1KMT2AMAPK1 | |
| SCHEMBL9639398 | 0.85 | PARP1 (0.48) | PARP1TSHRCHIAMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL9755174 | 0.85 | PARP1 (0.51) | PARP1CHIAMEN1KMT2AMAPK1 | |
| Acetic Acid SCHEMBL9639371 | 0.78 | HTR3E (0.53) | PARP1ALDH1A1MEN1KMT2AMAPK1 | |
| SCHEMBL5173996 | 0.77 | ALDH1A1 (0.67) | TSHRHSD17B10ALDH1A1KMT2AMAPK1 | |
| Propionic Acid SCHEMBL9640459 | 0.77 | HTR3E (0.52) | PARP1ALDH1A1CHIAMAPK1BCHE | |
| SCHEMBL27979649 | 0.76 | TDP1 (0.59) | TSHRALDH1A1KMT2A | |
| SCHEMBL9639544 | 0.75 | PARP1 (0.50) | PARP1ALDH1A1CHIAACHE |
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-0496746-A1 | PHARMACEUTICALLY ACTIVE AMINO-SUBSTITUTED HETEROARYL AMINES | THE UPJOHN COMPANY (US) | 1992-08-05 | — | — | EP | disclosed |
| WO-1991006542-A1 | PHARMACEUTICALLY ACTIVE AMINO-SUBSTITUTED HETEROARYL AMINES | THE UPJOHN COMPANY (US) | 1991-05-16 | — | — | WO | disclosed |