Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 7/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | THPO | P40225 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL25360423 | 1.00 | TACR1 (0.46) | TACR1TSHRSLC18A3SIGMAR1TP53 | |
| SCHEMBL22570096 | 1.00 | TACR1 (0.46) | TACR1TSHRSLC18A3SIGMAR1TP53 | |
| SCHEMBL22570100 | 1.00 | TACR1 (0.46) | TACR1TSHRSLC18A3SIGMAR1TP53 | |
| SCHEMBL15922404 | 1.00 | TACR1 (0.46) | TACR1TSHRSLC18A3SIGMAR1TP53 | |
| SCHEMBL14504584 | 1.00 | TACR1 (0.46) | TACR1TSHRSLC18A3SIGMAR1TP53 | |
| SCHEMBL13627816 | 0.88 | SLC18A3 (0.47) | TACR1TSHRSLC18A3SIGMAR1 | |
| SCHEMBL6206498 | 0.78 | HTR2C (0.53) | CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL3374873 | 0.77 | CYP1A2 (0.46) | TACR1TSHRSLC18A3SIGMAR1TP53 | |
| SCHEMBL6073832 | 0.77 | TSHR (0.44) | TACR1TSHRSLC18A3SIGMAR1TP53 | |
| SCHEMBL24477562 | 0.77 | SLC6A2 (0.49) | TACR1SLC18A3SIGMAR1CYP1A2CYP2D6 |
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-2019136244-A1 | HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF ABNORMAL CELLULAR PROLIFERATION | G1 THERAPEUTICS, INC. (US) | 2019-07-11 | — | — | WO | disclosed |