Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | TYMP | P19971 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | THRA | P10827 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL8293709 | 0.91 | PTGS2 (0.46) | ABCB11PTGS2ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL8905945 | 0.89 | ABCB11 (0.44) | ABCB11PTGS2ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL8905879 | 0.89 | ABCB11 (0.44) | ABCB11PTGS2ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL2128672 | 0.89 | ABCB11 (0.58) | ABCB11PTGS2ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL8906143 | 0.88 | ABCB11 (0.43) | ABCB11PTGS2ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL8907153 | 0.87 | ABCB11 (0.42) | ABCB11PTGS2ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL9030442 | 0.87 | ABCB11 (0.42) | ABCB11PTGS2ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL8906798 | 0.86 | ABCB11 (0.42) | ABCB11PTGS2ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL8905149 | 0.83 | HDAC6 (0.35) | ABCB11PTGS2ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL8904844 | 0.80 | AKR1B1 (0.43) | PTGS2ALDH1A1SMN1; SMN2LMNACYP1A2 |
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 |