Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.74 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.74 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.70 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.70 |
| ▸ | LMNA | P02545 | 1/20 | 0.70 |
| ▸ | TSHR | P16473 | 1/20 | 0.70 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.70 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7675690 | 0.89 | PTGS2 (0.73) | PTGS2ABCB11SMN1; SMN2CYP1A2ALDH1A1 | |
| SCHEMBL10904870 | 0.88 | PTGS2 (0.65) | PTGS2ABCB11SMN1; SMN2CYP1A2ALDH1A1 | |
| SCHEMBL7473702 | 0.87 | PTGS2 (0.56) | PTGS2ABCB11SMN1; SMN2CYP1A2ALDH1A1 | |
| SCHEMBL11401313 | 0.86 | PTGS2 (0.55) | PTGS2ABCB11SMN1; SMN2CYP1A2ALDH1A1 | |
| SCHEMBL11613193 | 0.85 | PTGS2 (0.68) | PTGS2ABCB11SMN1; SMN2CYP1A2ALDH1A1 | |
| SCHEMBL10905829 | 0.85 | PTGS2 (0.80) | PTGS2ABCB11SMN1; SMN2CYP1A2ALDH1A1 | |
| SCHEMBL12608966 | 0.85 | PTGS2 (0.80) | PTGS2ABCB11SMN1; SMN2CYP1A2ALDH1A1 | |
| Zomepirac SCHEMBL25735 | 0.85 | PTGS2 (1.00) | PTGS2ABCB11SMN1; SMN2CYP1A2ALDH1A1 | |
| Zomepirac SCHEMBL11495798 | 0.85 | PTGS2 (1.00) | PTGS2ABCB11SMN1; SMN2CYP1A2ALDH1A1 | |
| SCHEMBL11612598 | 0.85 | PTGS2 (0.74) | PTGS2ABCB11SMN1; SMN2CYP1A2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0714895-A1 | Pyrrole derivatives | F. Hoffmann-La Roche AG (CH) | 1996-06-05 | — | — | EP | disclosed |
| US-4528382-A | Imidoyl substituted pyrroles | MCNEILAB, INC. (US) | 1985-07-09 | — | — | US | disclosed |