Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.44 |
| ▸ | CTSL | P07711 | 1/20 | 0.44 |
| ▸ | CTSB | P07858 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8644572 | 0.91 | CYP1A1 (0.54) | CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6 | |
| SCHEMBL8647149 | 0.87 | CYP1A1 (0.50) | CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6 | |
| SCHEMBL8643100 | 0.82 | CYP1A1 (0.53) | CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6 | |
| SCHEMBL8643108 | 0.82 | CYP1A1 (0.53) | CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6 | |
| SCHEMBL8649037 | 0.81 | ATM (0.42) | CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6 | |
| SCHEMBL8648196 | 0.80 | HDAC1 (0.46) | CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6 | |
| SCHEMBL8643707 | 0.79 | KMT2A (0.50) | CYP1A1CYP1A2CYP1B1ALDH1A1POLB | |
| SCHEMBL8646364 | 0.79 | MAPT (0.44) | CYP1A2CYP3A4CYP2D6ALDH1A1MAPT | |
| SCHEMBL8643120 | 0.78 | MAPT (0.51) | ALDH1A1MAPTKDM4ELMNAHPGD | |
| SCHEMBL8644182 | 0.78 | F7 (0.41) | CYP1A2CYP3A4ALDH1A1POLBMAPT |
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 |