Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.53 |
| ▸ | PLOD3 | O60568 | 1/20 | 0.53 |
| ▸ | PLOD1 | Q02809 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | JAK2 | O60674 | 1/20 | 0.46 |
| ▸ | TYK2 | P29597 | 1/20 | 0.46 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL80355 | 0.86 | CES1 (0.48) | KMT2AMEN1ALDH1A1CYP3A4HPGD | |
| SCHEMBL28632577 | 0.84 | CES1 (0.46) | KMT2AMEN1ALDH1A1CYP3A4HPGD | |
| SCHEMBL229650 | 0.75 | KMT2A (1.00) | KMT2AMEN1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL3074392 | 0.75 | KMT2A (0.74) | KMT2AMEN1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL25983244 | 0.74 | KMT2A (0.65) | KMT2AMEN1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL733007 | 0.74 | KMT2A (0.65) | KMT2AMEN1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL18983076 | 0.74 | KMT2A (0.65) | KMT2AMEN1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL17728703 | 0.74 | KMT2A (0.58) | KMT2AALDH1A1NAPRTKCNK3L3MBTL1 | |
| Benzamide SCHEMBL28787993 | 0.71 | CYP3A4 (0.73) | KMT2AMEN1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL17115264 | 0.70 | KMT2A (0.60) | KMT2AMEN1ALDH1A1CYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0871444-A4 | 2,5-SUBSTITUTED ARYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK & CO INC (US) | 1999-01-13 | — | — | EP | disclosed |
| EP-0871444-A1 | 2,5-SUBSTITUTED ARYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | Merck & Co., Inc. (US) | 1998-10-21 | — | — | EP | disclosed |