Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 6/20 | 0.60 |
| ▸ | PTGS2 | P35354 | 7/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.47 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | SLC22A6 | Q4U2R8 | 2/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.47 |
| ▸ | THPO | P40225 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8697435 | 0.87 | PTGS1 (0.48) | PTGS1PTGS2MAPTCXCR1CXCR2 | |
| SCHEMBL24628720 | 0.86 | PTGS1 (0.50) | PTGS1PTGS2HPGDMEN1CYP2D6 | |
| SCHEMBL6155549 | 0.82 | FFAR1 (0.44) | PTGS1SMN1; SMN2MEN1CYP2D6KMT2A | |
| SCHEMBL343105 | 0.82 | CA12 (0.40) | PTGS1MEN1KMT2AHSP90AA1HSP90AB1 | |
| SCHEMBL10469262 | 0.82 | PTGS2 (0.46) | PTGS1PTGS2CXCR1CXCR2SLC22A6 | |
| SCHEMBL15242469 | 0.82 | CA1 (0.42) | PTGS1MAPTSMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL19745616 | 0.80 | CA12 (0.41) | PTGS1KDM4EMEN1CYP2D6KMT2A | |
| SCHEMBL21644941 | 0.80 | FFAR1 (0.54) | — | |
| SCHEMBL21644943 | 0.80 | FFAR1 (0.54) | — | |
| SCHEMBL9686535 | 0.78 | AKR1C3 (0.43) | PTGS1PTGS2SLC22A6AKR1C3AKR1C2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116783160-A | Libraries of compounds | 中外制药株式会社 | 2023-09-19 | — | — | CN | disclosed |