Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.32 |
| ▸ | KCNJ5 | P48544 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20686144 | 0.85 | CPT1A (0.35) | ALDH1A1KMT2AMAPTHSD17B10TP53 | |
| SCHEMBL20686177 | 0.80 | MAP4K1 (0.36) | GAA | |
| SCHEMBL20686268 | 0.80 | ALDH1A1 (0.36) | ALDH1A1KMT2AMAPTKDM4EHTT | |
| SCHEMBL20686158 | 0.79 | ALDH1A1 (0.35) | ALDH1A1KMT2AMAPTKDM4EHTT | |
| SCHEMBL17275671 | 0.79 | ALDH1A1 (0.49) | ALDH1A1KMT2AMAPTKDM4EHTT | |
| SCHEMBL17275758 | 0.79 | ALDH1A1 (0.47) | ALDH1A1KMT2AMAPTKDM4EHTT | |
| SCHEMBL20686194 | 0.79 | CACNA1H (0.33) | TP53CREBBP | |
| SCHEMBL16322756 | 0.76 | PRSS1 (0.39) | KMT2ATP53POLBPDE4APDE4B | |
| Hydrochloric Acid SCHEMBL9208972 | 0.75 | PRSS1 (0.38) | KMT2ATP53POLBPDE4APDE4B | |
| SCHEMBL16323021 | 0.73 | BRD4 (0.44) | POLBPDE4APDE4BPDE4CPDE4D |
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-3145923-B1 | INDOLIN-2-ONE AND 1,3-DIHYDRO-PYRROLO[3,2-C]PYRIDIN-2-ONE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2019-01-30 | — | — | EP | disclosed |