Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.37 |
| ▸ | RET | P07949 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.31 |
| ▸ | SRC | P12931 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2419398 | 1.00 | CYP3A4 (0.43) | CYP3A4GAACYP2C19SMN1; SMN2NPC1 | |
| SCHEMBL24741970 | 0.93 | NPC1 (0.50) | CYP3A4GAACYP2C19SMN1; SMN2NPC1 | |
| SCHEMBL4712988 | 0.93 | SMN1; SMN2 (0.46) | CYP3A4GAACYP2C19SMN1; SMN2NPC1 | |
| SCHEMBL24742033 | 0.87 | CYP3A4 (0.36) | CYP3A4GAACYP2C19SMN1; SMN2NPC1 | |
| SCHEMBL29987402 | 0.86 | CYP3A4 (0.38) | CYP3A4GAACYP2C19SMN1; SMN2NPC1 | |
| SCHEMBL24741784 | 0.86 | CYP3A4 (0.38) | CYP3A4GAACYP2C19SMN1; SMN2NPC1 | |
| SCHEMBL29207594 | 0.86 | CYP3A4 (0.38) | CYP3A4GAACYP2C19SMN1; SMN2NPC1 | |
| SCHEMBL29987681 | 0.86 | CYP3A4 (0.38) | CYP3A4GAACYP2C19SMN1; SMN2NPC1 | |
| SCHEMBL25346203 | 0.86 | SMN1; SMN2 (0.33) | CYP3A4GAACYP2C19SMN1; SMN2NPC1 | |
| SCHEMBL22287076 | 0.85 | SMN1; SMN2 (0.34) | CYP3A4GAACYP2C19SMN1; SMN2NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2358716-B1 | INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) | MERCK SHARP & DOHME (US) | 2016-01-06 | — | — | EP | disclosed |