Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DNM1 | Q05193 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | DGKA | P23743 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | KDM5A | P29375 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | PAM | P19021 | 2/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9867448 | 0.83 | TSHR (0.48) | DNM1ALDH1A1TSHRKMT2AL3MBTL1 | |
| SCHEMBL9866802 | 0.81 | DNM1 (0.45) | DNM1CYP1A2ALDH1A1TDP1ALOX15 | |
| SCHEMBL247779 | 0.80 | DNM1 (0.62) | DNM1CYP1A2ALDH1A1TDP1ALOX15 | |
| SCHEMBL25935555 | 0.80 | DNM1 (0.62) | DNM1CYP1A2ALDH1A1TDP1ALOX15 | |
| SCHEMBL31357603 | 0.80 | CYP1A2 (0.57) | DNM1CYP1A2ALDH1A1TDP1ALOX15 | |
| SCHEMBL31325278 | 0.80 | CYP1A2 (0.57) | DNM1CYP1A2ALDH1A1TDP1ALOX15 | |
| SCHEMBL10085306 | 0.78 | DNM1 (0.59) | DNM1CYP1A2ALDH1A1TDP1ALOX15 | |
| SCHEMBL6055406 | 0.78 | CYP1A2 (0.70) | DNM1CYP1A2ALDH1A1TDP1ALOX15 | |
| SCHEMBL495925 | 0.78 | CYP1A2 (0.70) | DNM1CYP1A2ALDH1A1TDP1ALOX15 | |
| SCHEMBL33870 | 0.78 | CYP1A2 (0.70) | DNM1CYP1A2ALDH1A1TDP1ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| US-4994612-A | Intermediates for dihydropyridine derivatives | HOFFMANN-LA ROCHE INC. (US) | 1991-02-19 | — | — | US | disclosed |
| US-4847273-A | CARDIOVASCULAR DISORDERS | HOFFMANN-LA ROCHE INC. (US) | 1989-07-11 | — | — | US | disclosed |