Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.46 |
| ▸ | MMP1 | P03956 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | TACR1 | P25103 | 1/20 | 0.45 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | MC4R | P32245 | 1/20 | 0.43 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.43 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.43 |
| ▸ | ESRRG | P62508 | 1/20 | 0.42 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.42 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2172656 | 0.95 | ATM (0.57) | ATMSLC6A2SLC6A4SLC6A3TACR1 | |
| SCHEMBL2170887 | 0.88 | ATM (0.52) | ATMSLC6A2SLC6A4SLC6A3TACR1 | |
| SCHEMBL2173199 | 0.88 | ATM (0.52) | ATMSLC6A2SLC6A4SLC6A3TACR1 | |
| SCHEMBL7921565 | 0.85 | ALDH1A1 (0.51) | ATMSLC6A2SLC6A4SLC6A3TACR1 | |
| SCHEMBL2170262 | 0.83 | CYP17A1 (0.52) | ATMHTTHPGDNR3C2SMN1; SMN2 | |
| SCHEMBL4375995 | 0.79 | SLC6A2 (0.50) | ATMMMP1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6621636 | 0.79 | ATM (0.49) | ATMMMP1MMP2MMP9SLC6A4 | |
| SCHEMBL7910450 | 0.79 | ATM (0.61) | ATMSLC6A4TACR1ALDH1A1HPGD | |
| SCHEMBL7919481 | 0.79 | ATM (0.53) | ATMMMP1TACR1ALDH1A1HPGD | |
| SCHEMBL7917147 | 0.78 | ATM (0.48) | ATMSLC6A2SLC6A4SLC6A3TACR1 |
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-2010054968-A1 | QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-05-20 | — | — | WO | disclosed |