Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | ERN1 | O75460 | 2/20 | 0.44 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.43 |
| ▸ | TRPV1 | Q8NER1 | 5/20 | 0.40 |
| ▸ | IMPDH2 | P12268 | 4/20 | 0.40 |
| ▸ | P4HB | P07237 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KDM5A | P29375 | 1/20 | 0.37 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28489641 | 1.00 | KDM4E (0.46) | KDM4EMAPKAPK2ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL29964222 | 0.79 | IMPDH2 (0.47) | KDM4EMAPKAPK2ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL28495531 | 0.79 | IMPDH2 (0.56) | KDM4EMAPKAPK2ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL5658470 | 0.79 | IMPDH2 (0.47) | KDM4EMAPKAPK2ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL9827957 | 0.75 | ERN1 (0.59) | KDM4EMAPKAPK2ERN1CACNA1BIMPDH2 | |
| SCHEMBL28503957 | 0.75 | MAOA (0.41) | KDM4EMAPKAPK2ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL11137238 | 0.74 | KDM4E (0.58) | KDM4EMAPKAPK2ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL7304753 | 0.73 | HSD17B10 (0.59) | KDM4EALDH1A1MAPTCYP1A2CYP2D6 | |
| Benzene SCHEMBL27527500 | 0.73 | KDM4E (0.57) | KDM4EMAPKAPK2ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL25268695 | 0.72 | IMPDH2 (0.52) | KDM4EMAPKAPK2ERN1CACNA1BIMPDH2 |
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-112094229-B | Synthesis method of 6- (trifluoromethyl) isoquinoline-5-alcohol | 苏州康润医药有限公司 | 2022-11-22 | — | — | CN | claimed |
| CN-112094229-B | Synthesis method of 6- (trifluoromethyl) isoquinoline-5-alcohol | 苏州康润医药有限公司 | 2022-11-22 | — | — | CN | disclosed |