Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.45 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.45 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.45 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL13163361 | 0.89 | TSHR (0.53) | TSHRHSD17B10ALDH1A1KDM4EKMT2A | |
| SCHEMBL16752384 | 0.86 | TSHR (0.65) | TSHRHSD17B10ALDH1A1KDM4EKMT2A | |
| SCHEMBL3585587 | 0.85 | TSHR (0.56) | TSHRHSD17B10ALDH1A1KDM4EKMT2A | |
| SCHEMBL5386421 | 0.84 | TSHR (0.62) | TSHRHSD17B10ALDH1A1KDM4EKMT2A | |
| SCHEMBL15019745 | 0.83 | TSHR (0.61) | TSHRHSD17B10ALDH1A1KDM4EKMT2A | |
| SCHEMBL1790478 | 0.82 | TSHR (0.59) | TSHRHSD17B10ALDH1A1KDM4EKMT2A | |
| SCHEMBL3676421 | 0.79 | TSHR (0.56) | TSHRHSD17B10ALDH1A1CA1CA2 | |
| Hydrochloric Acid SCHEMBL28428947 | 0.78 | TSHR (0.57) | TSHRHSD17B10ALDH1A1KDM4EKMT2A | |
| SCHEMBL8727691 | 0.77 | TSHR (0.53) | TSHRHSD17B10ALDH1A1KDM4EKMT2A | |
| SCHEMBL28569471 | 0.76 | TSHR (0.51) | TSHRHSD17B10ALDH1A1KDM4EKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-112867722-B | MACROCYCLIC SPIROETHERS (MACROCYCLIC SPIROETHERS) as MCL-1 inhibitors | 苏州亚盛药业有限公司 | 2022-09-23 | — | — | CN | disclosed |
| CN-112867722-A | MACROCYCLIC SPIROETHERS (MACROCYCLIC SPIROETHERS) as MCL-1 inhibitors | 苏州亚盛药业有限公司 | 2021-05-28 | — | — | CN | disclosed |