Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.67 |
| ▸ | CES1 | P23141 | 2/20 | 0.59 |
| ▸ | CA1 | P00915 | 2/20 | 0.57 |
| ▸ | CA2 | P00918 | 2/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.55 |
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.52 |
| ▸ | GSK3B | P49841 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | FBP1 | P09467 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL1398000 | 0.82 | CES1 (0.64) | ALDH1A1CES1CA1CA2TDP1 | |
| SCHEMBL10940236 | 0.82 | CES1 (0.64) | ALDH1A1CES1CA1CA2TDP1 | |
| SCHEMBL10350330 | 0.82 | ALDH1A1 (0.66) | ALDH1A1CES1CA1CA2TDP1 | |
| 4-Nitrobenzoyl Chloride SCHEMBL43141 | 0.80 | ALDH1A1 (1.00) | ALDH1A1CES1CA1CA2TDP1 | |
| 4-Nitrobenzoyl Chloride SCHEMBL28873526 | 0.80 | ALDH1A1 (1.00) | ALDH1A1CES1CA1CA2TDP1 | |
| SCHEMBL9322098 | 0.80 | TSHR (0.63) | ALDH1A1CES1CA1CA2TDP1 | |
| SCHEMBL16925496 | 0.80 | TDP1 (0.65) | ALDH1A1CES1CA1CA2TDP1 | |
| 4-Nitrobenzoyl Chloride SCHEMBL5400755 | 0.78 | ALDH1A1 (0.96) | ALDH1A1CES1CA1CA2TDP1 | |
| SCHEMBL9322101 | 0.78 | MAPK1 (0.67) | ALDH1A1CES1CA1CA2TDP1 | |
| SCHEMBL11779093 | 0.78 | CYP3A4 (0.55) | ALDH1A1CES1TSHRCES2LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016105528-A2 | INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2016-06-30 | — | — | WO | disclosed |
| WO-2003030889-A1 | PARA-AMINO BENZOIC ACIDS AS INTEGRIN ANTAGONISTS | BAYER HEALTHCARE AG (DE) | 2003-04-17 | — | — | WO | disclosed |
| US-4085165-A | ISOCYANATE PREPOLYMER, VINYL COMPOUND, POLYAMINE OR POLYETHER CURING AGENT | BRIDGESTONE TIRE CO., LTD. (JA) | 1978-04-18 | — | — | US | disclosed |