Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | MGAM | O43451 | 1/20 | 0.38 |
| ▸ | SI | P14410 | 1/20 | 0.38 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.38 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1637218 | 0.78 | CYP1A2 (0.48) | CYP1A2KMT2APOLBL3MBTL1 | |
| SCHEMBL28094810 | 0.76 | ENPEP (0.46) | CYP1A2KMT2ATSHRALDH1A1NPSR1 | |
| SCHEMBL349164 | 0.76 | ENPEP (0.46) | CYP1A2KMT2ATSHRALDH1A1NPSR1 | |
| SCHEMBL759761 | 0.76 | CYP1A2 (0.57) | CYP1A2KMT2APOLBL3MBTL1GAA | |
| SCHEMBL3955997 | 0.76 | CYP1A2 (0.57) | CYP1A2KMT2APOLBL3MBTL1GAA | |
| SCHEMBL10879118 | 0.76 | CYP1A2 (0.61) | CYP1A2KMT2APOLBL3MBTL1GAA | |
| Hydrochloric Acid SCHEMBL11101817 | 0.75 | CYP1A2 (0.55) | CYP1A2KMT2APOLBL3MBTL1GAA | |
| Hydrochloric Acid SCHEMBL31390897 | 0.74 | CYP1A2 (0.59) | CYP1A2KMT2APOLBL3MBTL1GAA | |
| Hydrochloric Acid SCHEMBL28260809 | 0.74 | CYP1A2 (0.59) | CYP1A2KMT2APOLBL3MBTL1GAA | |
| SCHEMBL5670726 | 0.74 | CA1 (0.38) | — |
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-1150946-A1 | ARYLALKANOYL DERIVATIVES, PROCESSES FOR THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | Aventis Pharma Deutschland GmbH (DE) | 2001-11-07 | — | — | EP | disclosed |
| WO-2000040548-A1 | ARYLALKANOYL DERIVATIVES, PROCESSES FOR THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2000-07-13 | — | — | WO | disclosed |