Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL8648534 | 0.92 | CYP1A1 (0.55) | CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6 | |
| SCHEMBL8643707 | 0.90 | KMT2A (0.50) | CYP1A1CYP1A2CYP1B1TDP1KMT2A | |
| SCHEMBL8646754 | 0.88 | CYP1A1 (0.52) | CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6 | |
| SCHEMBL8648671 | 0.86 | KMT2A (0.47) | CYP1A1CYP1A2CYP1B1TDP1KMT2A | |
| SCHEMBL8645267 | 0.83 | CYP1A1 (0.47) | CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6 | |
| SCHEMBL8644166 | 0.82 | CYP1A1 (0.52) | CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6 | |
| SCHEMBL8649085 | 0.82 | LMNA (0.44) | CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6 | |
| SCHEMBL8646693 | 0.82 | CYP1A1 (0.42) | CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6 | |
| SCHEMBL8648329 | 0.81 | KMT2A (0.58) | CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6 | |
| SCHEMBL8648334 | 0.81 | KMT2A (0.58) | CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0861831-A1 | HETEROARYL-SUBSTITUTED ACRYLOYLGUANIDINE DERIVATIVES AND MEDICINAL COMPOSITION THEREOF | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1998-09-02 | — | — | EP | disclosed |