Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 4/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8195859 | 0.87 | ALDH1A1 (0.76) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8193560 | 0.86 | KDM4E (0.77) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8224986 | 0.80 | KDM4E (0.69) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8197962 | 0.79 | KDM4E (0.64) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9 | |
| SCHEMBL6225951 | 0.76 | ADORA1 (0.52) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8198547 | 0.74 | KDM4E (0.58) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9 | |
| SCHEMBL6221477 | 0.74 | KDM4E (0.49) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8183814 | 0.73 | KDM4E (0.60) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8183859 | 0.73 | ALDH1A1 (0.76) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9 | |
| SCHEMBL29372580 | 0.73 | ALDH1A1 (1.00) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6136810-A | DRUGS AS ENZYME INHIBITORS OF PHOSPHODIESTERASE | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 2000-10-24 | — | — | US | claimed |
| EP-0885894-A1 | PYRIDO [2,3-D] PYRIMIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1998-12-23 | — | — | EP | claimed |
| US-6136810-A | DRUGS AS ENZYME INHIBITORS OF PHOSPHODIESTERASE | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 2000-10-24 | — | — | US | disclosed |
| EP-0885894-A1 | PYRIDO [2,3-D] PYRIMIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1998-12-23 | — | — | EP | disclosed |