Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | DGKA | P23743 | 1/20 | 0.45 |
| ▸ | MGAM | O43451 | 1/20 | 0.44 |
| ▸ | SI | P14410 | 1/20 | 0.44 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.44 |
| ▸ | PGR | P06401 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.44 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27643241 | 0.98 | CYP1A2 (0.53) | CYP1A2GAAALDH1A1ALOX15TDP1 | |
| SCHEMBL15055158 | 0.98 | CYP1A2 (0.53) | CYP1A2GAAALDH1A1ALOX15TDP1 | |
| SCHEMBL26648449 | 0.98 | CYP1A2 (0.53) | CYP1A2GAAALDH1A1ALOX15TDP1 | |
| SCHEMBL27527957 | 0.96 | CYP1A2 (0.55) | CYP1A2GAAALDH1A1ALOX15TDP1 | |
| SCHEMBL14822738 | 0.91 | CYP1A2 (0.48) | CYP1A2GAAALDH1A1ALOX15TSHR | |
| SCHEMBL134923 | 0.87 | EPHX2 (0.46) | ALDH1A1TDP1TSHRDGKAPAM | |
| SCHEMBL15334049 | 0.86 | CYP1A2 (0.44) | CYP1A2GAAALDH1A1TSHRHSD17B10 | |
| SCHEMBL3914424 | 0.84 | EPHX2 (0.49) | GAAALDH1A1TDP1TSHRDGKA | |
| SCHEMBL3251209 | 0.84 | EPHX2 (0.49) | GAAALDH1A1TDP1TSHRDGKA | |
| SCHEMBL14482131 | 0.84 | EPHX2 (0.49) | GAAALDH1A1TDP1TSHRDGKA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106831734-B | A kind of and agromycin A total synthesis method | 中国医学科学院医药生物技术研究所 | 2019-09-03 | — | — | CN | disclosed |
| CN-102712575-A | Homoglutamic acid derivatives | BAYER SCHERING PHARMA AG | 2012-10-03 | — | — | CN | disclosed |
| CN-100349895-C | Pyrrolopyridazine derivatives | ASTELLAS PHARMA INC (JP) | 2007-11-21 | — | — | CN | disclosed |
| CN-1759117-A | Pyrrolopyridazine derivatives | ASTELLAS PHARMA INC (JP) | 2006-04-12 | — | — | CN | disclosed |