Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23095872 | 0.81 | ALDH1A1 (0.40) | ALDH1A1HTTTSHRSMN1; SMN2ATM | |
| SCHEMBL18413642 | 0.69 | HRH3 (0.52) | — | |
| SCHEMBL14161059 | 0.69 | ALDH1A1 (0.37) | ALDH1A1HTTTSHRSMN1; SMN2ATM | |
| SCHEMBL23280414 | 0.69 | HPGD (0.41) | ALDH1A1HTTTSHRSMN1; SMN2KMT2A | |
| SCHEMBL19114768 | 0.67 | HPGD (0.36) | ALDH1A1HTTTSHRKMT2AMEN1 | |
| SCHEMBL23190831 | 0.66 | GABRR1 (0.33) | TSHRMAPK1 | |
| SCHEMBL27596422 | 0.65 | USP2 (0.43) | ALDH1A1HTTTSHRSMN1; SMN2KMT2A | |
| SCHEMBL23280345 | 0.65 | HPGD (0.38) | ALDH1A1TSHRSMN1; SMN2KMT2AMEN1 | |
| SCHEMBL19561865 | 0.64 | CHRNB2 (0.42) | HPGD | |
| SCHEMBL30569225 | 0.62 | ALDH1A1 (0.39) | ALDH1A1HTTTSHRSMN1; SMN2ATM |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018115380-A1 | NOVEL BENZYLAMINO SUBSTITUTED QUINAZOLINES AND DERIVATIVES AS SOS1 INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2018-06-28 | — | — | WO | disclosed |