Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 1/20 | 0.60 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 5/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 6/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.34 |
| ▸ | ALPL | P05186 | 1/20 | 0.34 |
| ▸ | XIAP | P98170 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8907187 | 0.90 | ABCB11 (0.57) | ABCB11PTGS2LMNACYP1A2ALDH1A1 | |
| SCHEMBL8906111 | 0.89 | ABCB11 (0.56) | ABCB11PTGS2LMNACYP1A2ALDH1A1 | |
| SCHEMBL8904256 | 0.89 | ABCB11 (0.56) | ABCB11PTGS2LMNACYP1A2ALDH1A1 | |
| SCHEMBL8904736 | 0.89 | ABCB11 (0.56) | ABCB11PTGS2LMNACYP1A2ALDH1A1 | |
| SCHEMBL8907070 | 0.89 | ABCB11 (0.56) | ABCB11PTGS2LMNACYP1A2ALDH1A1 | |
| SCHEMBL8905539 | 0.88 | ABCB11 (0.55) | ABCB11PTGS2LMNACYP1A2ALDH1A1 | |
| SCHEMBL8905383 | 0.87 | ABCB11 (0.59) | ABCB11PTGS2LMNACYP1A2ALDH1A1 | |
| SCHEMBL8905792 | 0.87 | ABCB11 (0.54) | ABCB11PTGS2LMNACYP1A2ALDH1A1 | |
| SCHEMBL8905469 | 0.87 | ABCB11 (0.54) | ABCB11PTGS2LMNACYP1A2ALDH1A1 | |
| SCHEMBL8905832 | 0.87 | ABCB11 (0.53) | ABCB11PTGS2LMNACYP1A2ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1066726-C | Pyrrole derivatives | HOFFMANN LA ROCHE (CH) | 2001-06-06 | — | — | CN | disclosed |
| US-5622948-A | ANALGESICS | SYNTEX (U.S.A.) INC. (US) | 1997-04-22 | — | — | US | disclosed |
| CN-1132206-A | Pyrrole derivatives | HOFFMANN LA ROCHE (CH) | 1996-10-02 | — | — | CN | disclosed |
| EP-0714895-A1 | Pyrrole derivatives | F. Hoffmann-La Roche AG (CH) | 1996-06-05 | — | — | EP | disclosed |