Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.43 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.40 |
| ▸ | BRAF | P15056 | 2/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4237333 | 0.89 | PKM (0.50) | PKMCYP2C9CYP2C19TAS1R3TAS1R1 | |
| SCHEMBL4242067 | 0.88 | PKM (0.48) | PKMCYP2C9CYP2C19TAS1R3TAS1R1 | |
| SCHEMBL5151849 | 0.87 | PKM (0.51) | PKMCYP2C9CYP2C19TAS1R3TAS1R1 | |
| SCHEMBL5150215 | 0.86 | PKM (0.52) | PKMCYP2C9CYP2C19TAS1R3TAS1R1 | |
| SCHEMBL4683708 | 0.84 | PKM (0.63) | PKMCYP2C9CYP2C19TAS1R3TAS1R1 | |
| SCHEMBL5149842 | 0.84 | PKM (0.63) | PKMCYP2C9CYP2C19TAS1R3TAS1R1 | |
| SCHEMBL4686271 | 0.82 | EPHX1 (0.50) | ALDH1A1KMT2APTPN2PTPN1PNLIP | |
| SCHEMBL4238103 | 0.81 | PKM (0.42) | PKMCYP2C9CYP2C19TAS1R3TAS1R1 | |
| SCHEMBL4682551 | 0.81 | PKM (0.53) | PKMCYP2C9CYP2C19TAS1R3TAS1R1 | |
| SCHEMBL4687741 | 0.81 | PKM (0.56) | PKMCYP2C9CYP2C19TAS1R3TAS1R1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1879887-A2 | NPY ANTAGONISTS, PREPARATION AND USE | Cerep (FR) | 2008-01-23 | — | — | EP | disclosed |
| WO-2007071840-A2 | COMPOUNDS BASED ON FOUR AROMATIC RINGS, PREPARATION AND USES THEREOF | CEREP (FR) | 2007-06-28 | — | — | WO | disclosed |
| WO-2006108965-A2 | NPY ANTAGONISTS, PREPARATION AND USE | CEREP (FR) | 2006-10-19 | — | — | WO | disclosed |