Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.39 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
| ▸ | CA2 | P00918 | 3/20 | 0.35 |
| ▸ | CA9 | Q16790 | 3/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21358187 | 0.76 | CA12 (0.42) | CYP3A4ALDH1A1CA2CA9CA14 | |
| SCHEMBL21358312 | 0.76 | HTR2A (0.42) | MAOAMAOBCYP19A1 | |
| SCHEMBL3740188 | 0.73 | RECQL (0.39) | CYP3A4RECQLMAOALMNATSHR | |
| SCHEMBL21359879 | 0.73 | HTR2C (0.51) | CYP3A4DDB1CRBNALDH1A1CA1 | |
| SCHEMBL21358194 | 0.72 | DRD2 (0.47) | CASP1MAOATSHRENPP2MAOB | |
| SCHEMBL29411064 | 0.70 | CYP3A4 (0.50) | CYP3A4CASP1RECQLDDB1CRBN | |
| SCHEMBL273350 | 0.70 | CYP3A4 (0.50) | CYP3A4CASP1RECQLDDB1CRBN | |
| SCHEMBL27660071 | 0.69 | CYP3A4 (0.44) | CYP3A4CASP1RECQLDDB1CRBN | |
| Hydrochloric Acid SCHEMBL25305777 | 0.68 | CYP3A4 (0.48) | CYP3A4CASP1RECQLDDB1CRBN | |
| SCHEMBL21250295 | 0.68 | CYP3A4 (0.48) | CYP3A4CASP1RECQLDDB1CRBN |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019177117-A1 | DRUG FOR TREATING COUGH | 日本ケミファ株式会社 | 2019-09-19 | — | — | WO | claimed |
| WO-2019177117-A1 | DRUG FOR TREATING COUGH | 日本ケミファ株式会社 | 2019-09-19 | — | — | WO | disclosed |
| CN-103237794-A | P2X4Receptor antagonists | NIPPONCHEMIPHAR CO LTD | 2013-08-07 | — | — | CN | disclosed |