Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | GLA | P06280 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | SCN4A | P35499 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | RXRA | P19793 | 1/20 | 0.44 |
| ▸ | RXRB | P28702 | 1/20 | 0.44 |
| ▸ | RXRG | P48443 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL13685153 | 0.82 | HTR1B (0.56) | ALDH1A1KDM4ECYP1A2TSHRRAB9A | |
| SCHEMBL3433833 | 0.82 | CYP2D6 (0.56) | ALDH1A1GLAKDM4ECYP1A2NPC1 | |
| SCHEMBL5825166 | 0.82 | ALDH1A1 (0.53) | ALDH1A1GLAKDM4ECYP1A2NPC1 | |
| SCHEMBL7690167 | 0.82 | KDM4E (0.46) | ALDH1A1GLAKDM4ERAB9AHPGD | |
| SCHEMBL6304558 | 0.80 | ALDH1A1 (0.56) | ALDH1A1GLAKDM4ECYP1A2NPC1 | |
| SCHEMBL1592876 | 0.80 | TDP1 (0.60) | ALDH1A1GLAKDM4ECYP1A2NPC1 | |
| SCHEMBL20530589 | 0.79 | ALDH1A1 (0.58) | ALDH1A1GLAKDM4ECYP1A2NPC1 | |
| SCHEMBL20530525 | 0.79 | ALDH1A1 (0.58) | ALDH1A1GLAKDM4ECYP1A2NPC1 | |
| SCHEMBL11679951 | 0.78 | CYP2D6 (0.61) | ALDH1A1GLAKDM4ECYP1A2NPC1 | |
| SCHEMBL9808080 | 0.78 | ALDH1A1 (0.62) | ALDH1A1GLAKDM4ECYP1A2NPC1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106518630-B | A method of the synthesis chloro- 2- methoxy toluene of 6- | 江苏扬农化工股份有限公司 | 2019-04-19 | — | — | CN | claimed |
| CN-115244065-A | Neuroactive steroids and pharmaceutical compositions containing them | 腾盛博药生物科技有限公司 | 2022-10-25 | — | — | CN | disclosed |
| CN-106518630-B | A method of the synthesis chloro- 2- methoxy toluene of 6- | 江苏扬农化工股份有限公司 | 2019-04-19 | — | — | CN | disclosed |
| CN-106518630-B | A method of the synthesis chloro- 2- methoxy toluene of 6- | 江苏扬农化工股份有限公司 | 2019-04-19 | — | — | CN | disclosed |
| CN-106518630-B | A method of the synthesis chloro- 2- methoxy toluene of 6- | 江苏扬农化工股份有限公司 | 2019-04-19 | — | — | CN | disclosed |
| EP-1501831-A1 | INHIBITORS OF CHECKPOINT KINASES (WEE1 AND CHK1) | WARNER-LAMBERT COMPANY LLC (US) | 2005-02-02 | — | — | EP | disclosed |
| WO-2003091255-A1 | INHIBITORS OF CHECKPOINT KINASES (WEE1 AND CHK1) | WARNER-LAMBERT COMPANY LLC (US) | 2003-11-06 | — | — | WO | disclosed |
| CN-1080258-C | 1-H-3-aryl-pyrrolidine-2, 4-dione derivatives as pesticides | BAYER AG (DE) | 2002-03-06 | — | — | CN | disclosed |
| US-4835312-A | Production process of N-substituted amide compounds | MITSUI CHEMICALS, INCORPORATED (JP) | 1989-05-30 | — | — | US | disclosed |