Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | TYMP | P19971 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.33 |
| ▸ | GPR174 | Q9BXC1 | 1/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8907020 | 0.83 | ALDH1A1 (0.35) | ADORA2AADORA1ALDH1A1KDM4EKMT2A | |
| SCHEMBL8905668 | 0.83 | ABCB11 (0.46) | HDAC6TYMPCYP3A4ALDH1A1KDM4E | |
| SCHEMBL8293709 | 0.81 | PTGS2 (0.46) | CYP3A4ALDH1A1KDM4EKMT2AMAPT | |
| SCHEMBL8905945 | 0.79 | ABCB11 (0.44) | TYMPCYP3A4ALDH1A1KMT2AMAPT | |
| SCHEMBL2128672 | 0.79 | ABCB11 (0.58) | HDAC6CYP3A4ALDH1A1KMT2AMAPT | |
| SCHEMBL8905879 | 0.79 | ABCB11 (0.44) | CYP3A4ALDH1A1KDM4EKMT2AMAPT | |
| SCHEMBL8906143 | 0.78 | ABCB11 (0.43) | TYMPCYP3A4ALDH1A1KDM4EKMT2A | |
| SCHEMBL9030442 | 0.77 | ABCB11 (0.42) | HDAC6ALDH1A1KDM4EKMT2AABCB11 | |
| SCHEMBL8907153 | 0.77 | ABCB11 (0.42) | CYP3A4ALDH1A1KDM4EKMT2AMAPT | |
| SCHEMBL8906798 | 0.76 | ABCB11 (0.42) | CYP3A4ALDH1A1KDM4EMAPTABCB11 |
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 |
|---|---|---|---|---|---|---|---|
| US-5622948-A | ANALGESICS | SYNTEX (U.S.A.) INC. (US) | 1997-04-22 | — | — | US | disclosed |
| EP-0714895-A1 | Pyrrole derivatives | F. Hoffmann-La Roche AG (CH) | 1996-06-05 | — | — | EP | disclosed |