Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.60 |
| ▸ | MAPT | P10636 | 3/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.60 |
| ▸ | LMNA | P02545 | 3/20 | 0.60 |
| ▸ | HPGD | P15428 | 3/20 | 0.60 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.50 |
| ▸ | APP | P05067 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.47 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8648112 | 1.00 | ALDH1A1 (0.60) | ALDH1A1MAPTKMT2ALMNAHPGD | |
| SCHEMBL8644548 | 0.89 | ALDH1A1 (0.51) | ALDH1A1MAPTKMT2ALMNAHPGD | |
| SCHEMBL8644552 | 0.89 | ALDH1A1 (0.51) | ALDH1A1MAPTKMT2ALMNAHPGD | |
| SCHEMBL7218667 | 0.85 | AKR1C1 (0.58) | ALDH1A1MAPTKMT2ALMNAHPGD | |
| SCHEMBL7666255 | 0.85 | AKR1C1 (0.58) | ALDH1A1MAPTKMT2ALMNAHPGD | |
| SCHEMBL8643718 | 0.83 | ALDH1A1 (0.47) | ALDH1A1MAPTKMT2ALMNAHPGD | |
| SCHEMBL8643722 | 0.83 | ALDH1A1 (0.47) | ALDH1A1MAPTKMT2ALMNAHPGD | |
| SCHEMBL8648199 | 0.83 | ALDH1A1 (0.47) | ALDH1A1MAPTKMT2ALMNAHPGD | |
| SCHEMBL8648195 | 0.83 | ALDH1A1 (0.47) | ALDH1A1MAPTKMT2ALMNAHPGD | |
| SCHEMBL8643149 | 0.81 | MAPT (0.53) | ALDH1A1MAPTKMT2ALMNAHPGD |
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 |