Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.41 |
| ▸ | MGAM | O43451 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SI | P14410 | 1/20 | 0.40 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.40 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 5/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 5/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.40 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.40 |
| ▸ | CDC42 | P60953 | 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 | |
|---|---|---|---|---|
| SCHEMBL10309632 | 1.00 | KMT2A (0.55) | KMT2ACYP1A2ALDH1A1HPGDCYP2C19 | |
| SCHEMBL10309640 | 1.00 | KMT2A (0.55) | KMT2ACYP1A2ALDH1A1HPGDCYP2C19 | |
| SCHEMBL2662882 | 0.77 | HSD17B10 (0.58) | KMT2ACYP1A2ALDH1A1HPGDCYP2C19 | |
| SCHEMBL10309643 | 0.75 | KMT2A (0.48) | KMT2ACYP1A2ALDH1A1HPGDCYP2C19 | |
| SCHEMBL13385707 | 0.74 | ALDH1A1 (0.50) | KMT2ACYP1A2ALDH1A1HPGDCYP2C19 | |
| SCHEMBL8697184 | 0.74 | TUBB4A (0.52) | KMT2AALDH1A1KDM4EGAA | |
| SCHEMBL1857883 | 0.74 | CYP1A2 (0.61) | KMT2ACYP1A2ALDH1A1HPGDCYP2C19 | |
| SCHEMBL13100658 | 0.74 | KMT2A (0.79) | KMT2AFFAR1 | |
| SCHEMBL8698087 | 0.73 | L3MBTL1 (0.61) | KMT2AALDH1A1MGAMGAASI | |
| SCHEMBL23951761 | 0.73 | KMT2A (0.39) | KMT2ACYP1A2ALDH1A1HPGDCYP2C19 |
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-2480077-B1 | PYRROLIDINES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE | MERCK SHARP & DOHME (US) | 2015-02-18 | — | — | EP | disclosed |