Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 3/20 | 0.35 |
| ▸ | TDO2 | P48775 | 2/20 | 0.35 |
| ▸ | TDP2 | O95551 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 4/20 | 0.34 |
| ▸ | CASP2 | P42575 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | CASP6 | P55212 | 1/20 | 0.34 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18215469 | 0.73 | CYP1A2 (0.51) | CYP1A2KMT2AALDH1A1KDM4EPOLB | |
| SCHEMBL18209336 | 0.73 | CYP1A2 (0.51) | CYP1A2KMT2AALDH1A1KDM4EPOLB | |
| SCHEMBL18215416 | 0.73 | CYP1A2 (0.51) | CYP1A2KMT2AALDH1A1KDM4EPOLB | |
| SCHEMBL7385236 | 0.71 | ANPEP (0.41) | TSHRKMT2AALDH1A1LMNACYP3A4 | |
| SCHEMBL16130815 | 0.67 | GSK3B (0.39) | CYP1A2TSHRIDO1TDP2ALDH1A1 | |
| SCHEMBL11789895 | 0.67 | HDAC6 (0.60) | KMT2AALDH1A1KDM4EHPGDCASP3 | |
| SCHEMBL18209303 | 0.66 | HSD17B10 (0.51) | CYP1A2TSHRIDO1TDO2ALDH1A1 | |
| SCHEMBL18215417 | 0.66 | HSD17B10 (0.51) | CYP1A2TSHRIDO1TDO2ALDH1A1 | |
| SCHEMBL11792200 | 0.66 | HDAC6 (0.45) | CYP1A2KMT2ATDP2ALDH1A1KDM4E | |
| SCHEMBL7412975 | 0.66 | ALDH1A1 (0.53) | KMT2AALDH1A1KDM4EHPGDHSD17B10 |
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-0458549-A1 | N-alkyl-spiro-isoquinoline-pyrrolidine tetrones and analogs thereof useful as aldose reductase inhibitors | AMERICAN HOME PRODUCTS CORPORATION (US) | 1991-11-27 | — | — | EP | disclosed |