Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.45 |
| ▸ | PGR | P06401 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 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 |
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 | |
|---|---|---|---|---|
| SCHEMBL25187840 | 0.95 | CYP1A2 (0.48) | CYP1A2NR1I2PGRADORA3PTGS2 | |
| SCHEMBL31664256 | 0.86 | CYP1A2 (0.47) | CYP1A2NR1I2PGRADORA3PTGS2 | |
| SCHEMBL8465117 | 0.84 | CYP1A2 (0.48) | CYP1A2NR1I2PGRADORA3PTGS2 | |
| Pentanal SCHEMBL17008602 | 0.82 | TSHR (0.47) | TSHRKMT2ACYP3A4TDP1ALDH1A1 | |
| SCHEMBL11701195 | 0.81 | CYP1A2 (0.46) | CYP1A2NR1I2PGRADORA3PTGS2 | |
| SCHEMBL8435186 | 0.80 | CYP1A2 (0.57) | CYP1A2NR1I2PGRADORA3PTGS2 | |
| SCHEMBL542339 | 0.79 | DGKA (0.42) | TSHRKMT2ACYP3A4TDP1ALDH1A1 | |
| SCHEMBL2915704 | 0.79 | CYP1A2 (0.55) | CYP1A2NR1I2PGRADORA3PTGS2 | |
| SCHEMBL2112334 | 0.79 | CYP1A2 (0.55) | CYP1A2NR1I2PGRADORA3PTGS2 | |
| SCHEMBL2112335 | 0.79 | CYP1A2 (0.55) | CYP1A2NR1I2PGRADORA3PTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1809535-A | Process for separating optically active dihydroxy-heptenoic acid esters | DAICEL CHEM (JP) | 2006-07-26 | — | — | CN | disclosed |
| EP-0104863-A2 | Light-sensitive planographic printing plate | FUJI PHOTO FILM CO., LTD. (JP) | 1984-04-04 | — | — | EP | disclosed |