Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 6/20 | 0.39 |
| ▸ | BCHE | P06276 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CTSD | P07339 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | CCR3 | P51677 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 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 | |
|---|---|---|---|---|
| SCHEMBL10526204 | 0.89 | ALDH1A1 (0.47) | ALDH1A1KMT2AMEN1SIGMAR1ACHE | |
| SCHEMBL9538960 | 0.86 | SIGMAR1 (0.41) | ALDH1A1KMT2AMEN1SIGMAR1ACHE | |
| SCHEMBL6801284 | 0.77 | SIGMAR1 (0.44) | ALDH1A1KMT2AMEN1SIGMAR1ACHE | |
| SCHEMBL3262199 | 0.70 | ALDH1A1 (0.44) | ALDH1A1KMT2AMEN1SIGMAR1ACHE | |
| SCHEMBL11279544 | 0.69 | MEN1 (0.36) | KMT2AMEN1 | |
| SCHEMBL10620662 | 0.69 | SIGMAR1 (0.67) | ALDH1A1KMT2AMEN1SIGMAR1ACHE | |
| SCHEMBL10921528 | 0.69 | TSHR (0.40) | ALDH1A1SIGMAR1CYP1A2CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL9582604 | 0.68 | MEN1 (0.36) | KMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL10918830 | 0.68 | SIGMAR1 (0.47) | ALDH1A1KMT2AMEN1SIGMAR1ACHE | |
| SCHEMBL12158321 | 0.67 | KMT2A (0.38) | ALDH1A1KMT2AMEN1LMNAPARP1 |
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-1993004047-A1 | QUINAZOLINE DERIVATIVES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE | MERCK & CO., INC. (US) | 1993-03-04 | — | — | WO | disclosed |