Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | GLA | P06280 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16076731 | 0.81 | GABRA1 (0.38) | NR3C1ALDH1A1 | |
| SCHEMBL27051707 | 0.79 | TYR (0.41) | LMNATRPA1CHRM1SLC6A2ADRA1A | |
| SCHEMBL20028265 | 0.79 | RHEB (0.46) | ALDH1A1HTR2AAHRRHEB | |
| SCHEMBL12110222 | 0.79 | AHR (0.41) | TRPA1ALDH1A1HSD17B10KMT2AHTR2A | |
| SCHEMBL19007003 | 0.77 | IDO1 (0.37) | IDO1TP53GPR84RHEB | |
| SCHEMBL29713811 | 0.75 | RXFP1 (0.47) | LMNANR3C1ALDH1A1KDM4EGLA | |
| SCHEMBL1294597 | 0.75 | RXFP1 (0.47) | LMNANR3C1ALDH1A1KDM4EGLA | |
| SCHEMBL18254474 | 0.75 | AR (0.35) | LMNAADRA1AALDH1A1KDM4EGLA | |
| SCHEMBL12110223 | 0.75 | HSD17B10 (0.49) | HTR2BALDH1A1HPGDHSD17B10KMT2A | |
| SCHEMBL12110214 | 0.74 | HSP90AA1 (0.36) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022268025-A1 | ATR INHIBITOR AND USE THEREOF | 成都苑东生物制药股份有限公司 | 2022-12-29 | — | — | WO | disclosed |
| EP-3122353-B1 | SUBSTITUTED INDOLE MCL-1 INHIBITORS | UNIV VANDERBILT (US) | 2020-10-28 | — | — | EP | disclosed |