Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
| ▸ | POLB | P06746 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | RECQL | P46063 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL5334182 | 0.84 | PKM (0.89) | PKMCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5332021 | 0.84 | SMN1; SMN2 (0.74) | POLBALDH1A1L3MBTL1KMT2AMEN1 | |
| SCHEMBL5332252 | 0.83 | POLB (0.68) | CYP3A4CYP2D6POLBALDH1A1NPSR1 | |
| SCHEMBL5331032 | 0.81 | POLB (0.62) | CYP3A4CYP2D6POLBALDH1A1NPSR1 | |
| SCHEMBL5331037 | 0.81 | POLB (0.62) | CYP3A4CYP2D6POLBALDH1A1NPSR1 | |
| SCHEMBL5332052 | 0.76 | POLB (0.58) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5332046 | 0.76 | POLB (0.58) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5331937 | 0.72 | ADORA1 (0.47) | PKMPOLBALDH1A1KMT2AMEN1 | |
| SCHEMBL5331484 | 0.72 | ALDH1A1 (0.66) | PKMCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5329752 | 0.72 | SMN1; SMN2 (0.83) | POLBALDH1A1KMT2ASMN1; SMN2TSHR |
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-2007047394-A2 | THIOTRIAZOLYL DERIVATIVES | EPIX DELAWARE, INC. (US) | 2007-04-26 | — | — | WO | disclosed |