Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.59 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL11399298 | 0.85 | ABCB11 (0.43) | PTGS2ABCB11SMN1; SMN2LMNATSHR | |
| SCHEMBL10881482 | 0.83 | PTGS2 (0.41) | PTGS2ABCB11SMN1; SMN2TSHRALDH1A1 | |
| SCHEMBL11093991 | 0.81 | PTGS2 (0.61) | PTGS2ABCB11SMN1; SMN2LMNATSHR | |
| SCHEMBL7674493 | 0.80 | PTGS2 (0.77) | PTGS2ABCB11SMN1; SMN2LMNATSHR | |
| SCHEMBL11084119 | 0.80 | PTGS2 (0.56) | PTGS2ABCB11SMN1; SMN2LMNATSHR | |
| SCHEMBL10883943 | 0.78 | PTGS2 (0.66) | PTGS2ABCB11SMN1; SMN2LMNATSHR | |
| SCHEMBL11085501 | 0.78 | PTGS2 (0.55) | PTGS2ABCB11SMN1; SMN2LMNATSHR | |
| SCHEMBL7677102 | 0.78 | PTGS2 (0.61) | PTGS2ABCB11SMN1; SMN2LMNATSHR | |
| Toluene SCHEMBL27334862 | 0.77 | PTGS2 (0.71) | PTGS2ABCB11SMN1; SMN2LMNATSHR | |
| SCHEMBL11090718 | 0.76 | PTGS2 (0.56) | PTGS2ABCB11SMN1; SMN2LMNATSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0072013-A1 | Pyrrole compounds as anti-inflammatory and analgesic agents | MERCK & CO. INC. (US) | 1983-02-16 | — | — | EP | claimed |
| US-4434175-A | 5-AROYL-PYRROLE ALKANOIC ACIDS | MERCK & CO., INC. (US) | 1984-02-28 | — | — | US | disclosed |
| EP-0072013-A1 | Pyrrole compounds as anti-inflammatory and analgesic agents | MERCK & CO. INC. (US) | 1983-02-16 | — | — | EP | disclosed |