Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 3/20 | 0.40 |
| ▸ | PPARA | Q07869 | 3/20 | 0.40 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27613846 | 1.00 | CYP3A4 (0.41) | CYP3A4CYP1A2CYP2D6CYP2C9NFKB1 | |
| SCHEMBL27481969 | 0.82 | PPARG (0.47) | CYP3A4CYP1A2CYP2D6CYP2C9NFKB1 | |
| SCHEMBL27613848 | 0.79 | GAA (0.45) | CYP3A4CYP1A2CYP2D6CYP2C9NFKB1 | |
| SCHEMBL27756525 | 0.77 | KMT2A (0.48) | PPARGPPARAKMT2A | |
| SCHEMBL27613814 | 0.77 | GAA (0.42) | CYP3A4CYP1A2CYP2D6CYP2C9NFKB1 | |
| SCHEMBL27778184 | 0.74 | CYP1A2 (0.41) | CYP1A2CYP2D6LMNAMAOB | |
| SCHEMBL27594939 | 0.74 | MAOB (0.39) | CYP3A4CYP1A2CYP2D6CYP2C9NFKB1 | |
| SCHEMBL7754177 | 0.72 | PPARG (0.58) | PPARGPPARACA1CA2MMP2 | |
| SCHEMBL27884796 | 0.71 | PPARG (0.47) | CYP3A4CYP1A2CYP2D6CYP2C9NFKB1 | |
| SCHEMBL9543389 | 0.68 | PPARA (0.51) | GAAPPARGPPARACACNA1B |
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 |
|---|---|---|---|---|---|---|---|
| CN-1911930-A | Chemokine receptor anagonists, methods and use therefor | MILLENNIUM PHARM INC (US) | 2007-02-14 | — | — | CN | disclosed |
| CN-1585772-A | Chemokine receptor antagonists and methods and uses thereof | MILLENNIUM PHARM INC (US) | 2005-02-23 | — | — | CN | disclosed |