Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | UBE2N | P61088 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11877884 | 0.91 | ALDH1A1 (0.49) | TSHRALDH3A1KMT2AHTTCASP3 | |
| Hydrochloric Acid SCHEMBL11877009 | 0.80 | CASP3 (0.45) | TSHRALDH3A1KMT2AHTTCASP3 | |
| SCHEMBL11878613 | 0.77 | TSHR (0.50) | TSHRALDH3A1KMT2AHTTCASP3 | |
| SCHEMBL11842852 | 0.75 | TSHR (0.80) | TSHRALDH3A1KMT2AHTTCASP3 | |
| Hydrochloric Acid SCHEMBL11845788 | 0.74 | TSHR (0.78) | TSHRALDH3A1KMT2AHTTCASP3 | |
| SCHEMBL11843146 | 0.74 | SOS1 (0.74) | TSHRALDH3A1KMT2AHTTCASP3 | |
| SCHEMBL11881664 | 0.73 | P2RX7 (0.51) | TSHRALDH3A1KMT2AHTTCASP3 | |
| SCHEMBL11873165 | 0.71 | TSHR (0.51) | TSHRALDH3A1KMT2AHTTCASP3 | |
| SCHEMBL4597810 | 0.70 | CES1 (0.77) | TSHRALDH3A1CASP3LMNAHPGD | |
| SCHEMBL30774308 | 0.70 | CES1 (0.77) | TSHRALDH3A1CASP3LMNAHPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-3984556-A | Alkyl-substituted-tricyclic quinazolinones for lowering blood pressure | SANDOZ, INC. (US) | 1976-10-05 | — | — | US | disclosed |
| US-3982000-A | Alkyl-substituted-tricyclic quinazolinones as bronchodilators | SANDOZ, INC. (US) | 1976-09-21 | — | — | US | disclosed |