Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.51 |
| ▸ | XDH | P47989 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.44 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.44 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.44 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.44 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.44 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4721881 | 0.81 | GAA (0.43) | HDAC1ALDH1A1HPGDKDM4ECYP1A2 | |
| SCHEMBL4723245 | 0.81 | KDM4E (0.51) | HDAC1KDM4ETDP1LMNANPSR1 | |
| SCHEMBL14973530 | 0.74 | ALDH1A1 (0.50) | HDAC1ALDH1A1HPGDKDM4ECYP1A2 | |
| SCHEMBL22633138 | 0.69 | TLR8 (0.51) | XDHALDH1A1HPGDKDM4ECYP1A2 | |
| SCHEMBL9383785 | 0.68 | KDM4E (0.56) | XDHALDH1A1HPGDKDM4ECYP1A2 | |
| SCHEMBL13733242 | 0.68 | ALDH1A1 (0.52) | XDHALDH1A1HPGDKDM4ECYP1A2 | |
| SCHEMBL28825532 | 0.68 | CYP1A2 (0.49) | ALDH1A1HPGDKDM4ECYP1A2CYP3A4 | |
| SCHEMBL6697417 | 0.67 | ALDH1A1 (0.66) | ALDH1A1HPGDKDM4ECYP1A2CYP3A4 | |
| SCHEMBL1032856 | 0.67 | KDM1A (0.50) | XDHALDH1A1HPGDKDM4ECYP1A2 | |
| SCHEMBL27409555 | 0.67 | HDAC1 (0.49) | HDAC1XDHALDH1A1KDM4ELMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1953147-A1 | HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF | Japan Tobacco, Inc. (JP) | 2008-08-06 | — | — | EP | claimed |
| EP-1953147-A1 | HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF | Japan Tobacco, Inc. (JP) | 2008-08-06 | — | — | EP | disclosed |