Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 3/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL14973530 | 0.68 | ALDH1A1 (0.50) | ALDH1A1LMNANPSR1HPGDKDM4E | |
| SCHEMBL6697417 | 0.66 | ALDH1A1 (0.66) | ALDH1A1LMNANPSR1HPGDKDM4E | |
| SCHEMBL4723906 | 0.65 | HDAC1 (0.51) | ALDH1A1LMNANPSR1HPGDKDM4E | |
| SCHEMBL10039579 | 0.64 | AADAT (0.43) | ALDH1A1HPGDCYP1A2CYP3A4KDM1A | |
| SCHEMBL8103915 | 0.63 | CTSS (0.60) | — | |
| SCHEMBL8102136 | 0.62 | CTSS (0.67) | — | |
| SCHEMBL9229195 | 0.62 | NPSR1 (1.00) | ALDH1A1LMNANPSR1KDM4ECYP1A2 | |
| SCHEMBL4721881 | 0.62 | GAA (0.43) | ALDH1A1LMNANPSR1HPGDKDM4E | |
| SCHEMBL19657972 | 0.61 | ALDH1A1 (0.70) | ALDH1A1LMNANPSR1HPGDCYP1A2 | |
| SCHEMBL16474677 | 0.60 | HTT (0.49) | ALDH1A1LMNANPSR1HPGDKDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012020780-A1 | HETEROCYCLIC COMPOUND AND USE THEREOF | 武田薬品工業株式会社 (JP) | 2012-02-16 | — | — | WO | disclosed |