Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.40 |
| ▸ | KCNK10 | P57789 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | EP300 | Q09472 | 1/20 | 0.36 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27693457 | 0.83 | MEN1 (0.46) | HTTLMNAKDM4EPOLBMEN1 | |
| SCHEMBL27675110 | 0.80 | CHRM1 (0.46) | ALDH1A1HPGDHTTLMNAKCNK2 | |
| SCHEMBL28766939 | 0.80 | S1PR1 (0.43) | ALDH1A1HPGDLMNAKDM4EHSD17B10 | |
| SCHEMBL27693495 | 0.79 | LMNA (0.49) | ALDH1A1HPGDLMNAKDM4EHSD17B10 | |
| SCHEMBL28768803 | 0.79 | CNR2 (0.51) | ALDH1A1HPGDLMNAKDM4EHSD17B10 | |
| SCHEMBL27675143 | 0.79 | TAS2R14 (0.52) | ALDH1A1HPGDLMNAKDM4EHSD17B10 | |
| SCHEMBL27693502 | 0.79 | KDM4E (0.44) | ALDH1A1HPGDLMNAKDM4EHSD17B10 | |
| SCHEMBL27675206 | 0.78 | KDM4E (0.48) | ALDH1A1HPGDLMNAKDM4EHSD17B10 | |
| SCHEMBL27693559 | 0.78 | KDM4E (0.51) | ALDH1A1HPGDHTTL3MBTL1LMNA | |
| SCHEMBL27675161 | 0.78 | POLB (0.43) | ALDH1A1HPGDHTTL3MBTL1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-101006076-B | Modulators of ATP-binding cassette transporters | VERTEX PHARMA | 2010-09-29 | — | — | CN | disclosed |
| CN-101006076-A | Modulators of ATP-binding cassette transporters | VERTEX PHARMA (US) | 2007-07-25 | — | — | CN | disclosed |