Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL31244228 | 0.79 | POLB (0.44) | TDP1ALDH1A1KDM4ELMNAL3MBTL1 | |
| SCHEMBL31244303 | 0.78 | CYP2C19 (0.46) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL31367853 | 0.76 | HPGD (0.47) | ALDH1A1KDM4ELMNAL3MBTL1POLB | |
| Hydrochloric Acid SCHEMBL25278858 | 0.75 | HPGD (0.46) | ALDH1A1KDM4ELMNAL3MBTL1POLB | |
| SCHEMBL31243965 | 0.75 | HPGD (0.49) | ALDH1A1LMNAL3MBTL1POLBRECQL | |
| SCHEMBL7733786 | 0.74 | POLB (0.55) | TDP1POLBRECQL | |
| SCHEMBL31244316 | 0.73 | CYP1A2 (0.34) | ALDH1A1KDM4ELMNAL3MBTL1POLB | |
| SCHEMBL2109722 | 0.73 | ALDH1A1 (0.69) | ALDH1A1KDM4ELMNAL3MBTL1HPGD | |
| SCHEMBL2910035 | 0.72 | CHRNA4 (0.51) | TDP1ALDH1A1KDM4ELMNAL3MBTL1 | |
| Ethylenediamine SCHEMBL29057803 | 0.72 | TDP1 (0.56) | TDP1ALDH1A1L3MBTL1POLBHPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-0281018-A1 | Heterocyclyl-2-propyn-1-amines | MERRELL DOW PHARMACEUTICALS INC. (US) | 1988-09-07 | — | — | EP | disclosed |
| US-4743617-A | HYPOTENSIVES | MERRELL DOW PHARMACEUTICALS INC. (US) | 1988-05-10 | — | — | US | disclosed |