Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.36 |
| ▸ | ESR1 | P03372 | 6/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | TTR | P02766 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HSD17B3 | P37058 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15462385 | 0.82 | NR1H3 (0.43) | ESR2ESR1CYP3A4TSHRRECQL | |
| SCHEMBL2806709 | 0.77 | ALDH1A1 (0.45) | CYP3A4TSHRRECQLTTRKDM4E | |
| SCHEMBL14790415 | 0.77 | KDM4E (0.33) | CYP3A4TSHRKDM4EALDH1A1CYP1A2 | |
| SCHEMBL30444035 | 0.76 | HSD17B10 (0.43) | ESR2ESR1CYP3A4TSHRTTR | |
| SCHEMBL20536435 | 0.76 | HSD17B10 (0.43) | ESR2ESR1CYP3A4TSHRTTR | |
| SCHEMBL11296185 | 0.75 | CSF1R (0.46) | TSHRKDM4EALDH1A1CYP2C9HPGD | |
| SCHEMBL2890025 | 0.74 | KDM4E (0.35) | CYP3A4TSHRKDM4EALDH1A1CYP1A2 | |
| SCHEMBL16620701 | 0.74 | FFAR1 (0.47) | TSHRALDH1A1GRM5 | |
| SCHEMBL4505600 | 0.74 | TSHR (0.34) | TSHRRECQLKDM4EALDH1A1HPGD | |
| SCHEMBL16709385 | 0.73 | ALDH1A1 (0.38) | TSHRKDM4EALDH1A1HPGDHSD17B10 |
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-2022129913-A1 | ALKYNE DERIVATIVES AS INHIBITORS OF C-ABL | BENEVOLENTAI BIO LIMITED (GB) | 2022-06-23 | — | — | WO | disclosed |