Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 5/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | CXCL8 | P10145 | 2/20 | 0.30 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.30 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 2/20 | 0.30 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11091486 | 0.80 | PTGS1 (0.33) | PTGS2AKR1C3AKR1C2SMN1; SMN2TSHR | |
| SCHEMBL7674446 | 0.80 | PTGS2 (0.60) | PTGS2ABCB11SMN1; SMN2TSHRALDH1A1 | |
| SCHEMBL7674668 | 0.77 | PTGS2 (0.49) | PTGS2ABCB11SMN1; SMN2TSHRALDH1A1 | |
| SCHEMBL7681936 | 0.76 | PTGS2 (0.44) | PTGS2ABCB11SMN1; SMN2TSHRALDH1A1 | |
| SCHEMBL7676990 | 0.76 | PTGS2 (0.46) | PTGS2ABCB11AKR1C3SMN1; SMN2TSHR | |
| SCHEMBL10883943 | 0.76 | PTGS2 (0.66) | PTGS2ABCB11SMN1; SMN2TSHRALDH1A1 | |
| SCHEMBL7682284 | 0.75 | ALDH1A1 (0.44) | PTGS2SMN1; SMN2ALDH1A1LMNAPTGS1 | |
| SCHEMBL7681922 | 0.74 | PTGS2 (0.44) | PTGS2ABCB11SMN1; SMN2TSHRALDH1A1 | |
| SCHEMBL7674658 | 0.71 | PTGS2 (0.41) | PTGS2ABCB11SMN1; SMN2TSHRALDH1A1 | |
| SCHEMBL7680616 | 0.71 | SRD5A2 (0.44) | PTGS2ABCB11AKR1C3AKR1C2SMN1; SMN2 |
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 |