Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL11091595 | 0.87 | SMN1; SMN2 (0.40) | SMN1; SMN2HSD17B10NPC1RAB9A | |
| SCHEMBL7681255 | 0.77 | PTGS2 (0.51) | SMN1; SMN2NPC1RAB9ACXCL8AKR1B1 | |
| SCHEMBL11087572 | 0.77 | KMT2A (0.42) | SMN1; SMN2NPC1RAB9A | |
| SCHEMBL10912428 | 0.75 | PTGS2 (0.42) | SMN1; SMN2HSD17B10NPC1RAB9ACXCL8 | |
| SCHEMBL7675435 | 0.75 | PTGS2 (0.57) | SMN1; SMN2CXCL8AKR1B1PTGS1PTGS2 | |
| SCHEMBL11088533 | 0.74 | PTGS2 (0.59) | SMN1; SMN2HSD17B10NPC1RAB9APKM | |
| SCHEMBL11198226 | 0.73 | PTGS2 (0.33) | CXCL8AKR1B1PTGS1PTGS2GLO1 | |
| SCHEMBL10881482 | 0.68 | PTGS2 (0.41) | SMN1; SMN2HSD17B10NPC1RAB9ANFKB1 | |
| SCHEMBL526662 | 0.68 | SMN1; SMN2 (0.58) | SMN1; SMN2HSD17B10NPC1RAB9APKM | |
| SCHEMBL11087575 | 0.68 | USP2 (0.41) | SMN1; SMN2NPC1RAB9ACYP2C9 |
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-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 |