Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 3/20 | 0.57 |
| ▸ | CYP21A2 | P08686 | 3/20 | 0.57 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | CHKA | P35790 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.47 |
| ▸ | NCF1 | P14598 | 1/20 | 0.47 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL19634850 | 0.81 | KMT2A (0.64) | KDM4EALDH1A1MAPTTSHRHSD17B10 | |
| SCHEMBL1487309 | 0.81 | CHKA (0.55) | CYP3A4MAPTCYP2C19TSHRCYP1A2 | |
| SCHEMBL12082286 | 0.80 | KMT2A (0.67) | KDM4EALDH1A1MAPTTSHRHSD17B10 | |
| SCHEMBL4142494 | 0.79 | KDM4E (0.55) | CYP17A1CYP21A2CYP11B1CYP3A4CYP19A1 | |
| SCHEMBL21484324 | 0.79 | KDM4E (0.59) | CYP17A1CYP21A2CYP11B1CYP3A4CYP19A1 | |
| SCHEMBL763179 | 0.79 | KDM4E (0.59) | CYP17A1CYP21A2CYP11B1KDM4EALDH1A1 | |
| SCHEMBL27571160 | 0.79 | ALDH1A1 (0.63) | CYP17A1CYP21A2CYP11B1CYP3A4CYP19A1 | |
| SCHEMBL900049 | 0.79 | MAPT (0.61) | KDM4EALDH1A1MAPTTSHRHSD17B10 | |
| SCHEMBL28112415 | 0.78 | CHKA (0.80) | CYP3A4KDM4EMAPTCYP2C19TSHR | |
| SCHEMBL14923965 | 0.76 | KDM4E (0.56) | CYP3A4KDM4EALDH1A1MAPTTSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-3458459-B1 | MACROCYCLIC INDOLE DERIVATIVES | BAYER AG (DE) | 2022-04-27 | — | — | EP | disclosed |