Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.52 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | F7 | P08709 | 1/20 | 0.40 |
| ▸ | F3 | P13726 | 1/20 | 0.40 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.40 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.40 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.40 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.40 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.40 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.40 |
| ▸ | SIRT4 | Q9Y6E7 | 1/20 | 0.40 |
| ▸ | P4HB | P07237 | 1/20 | 0.40 |
| ▸ | F10 | P00742 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8646691 | 0.95 | CYP1A1 (0.47) | CYP1A1CYP1A2CYP1B1USP2F7 | |
| SCHEMBL8647943 | 0.88 | CYP1A2 (0.47) | CYP1A1CYP1A2CYP1B1USP2F7 | |
| SCHEMBL8648534 | 0.87 | CYP1A1 (0.55) | CYP1A1CYP1A2CYP1B1CYP2D6CYP3A4 | |
| SCHEMBL8645267 | 0.87 | CYP1A1 (0.47) | CYP1A1CYP1A2CYP1B1F7F3 | |
| SCHEMBL8649085 | 0.86 | LMNA (0.44) | CYP1A1CYP1A2CYP1B1CYP2D6CYP3A4 | |
| SCHEMBL8650840 | 0.85 | TSHR (0.49) | P4HBGAAKMT2AMEN1KDM4E | |
| SCHEMBL8648599 | 0.85 | ALDH1A1 (0.42) | P4HBALDH1A1KMT2AMEN1KDM4E | |
| SCHEMBL8645546 | 0.84 | ALDH1A1 (0.59) | LMNAALDH1A1KMT2AMEN1RAB9A | |
| SCHEMBL8650818 | 0.84 | NAMPT (0.46) | CYP1A1CYP1A2CYP1B1F10CYP2D6 | |
| SCHEMBL8646693 | 0.84 | CYP1A1 (0.42) | CYP1A1CYP1A2CYP1B1F10CYP2D6 |
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 |