Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.42 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.42 |
| ▸ | RXRA | P19793 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 2/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4597491 | 0.86 | ALDH1A1 (0.53) | TDP1CA1CA2CYP1A2CYP3A4 | |
| SCHEMBL4140304 | 0.83 | KDM4E (0.46) | PARP10SMN1; SMN2MAP4K4ALDH1A1KDM4E | |
| SCHEMBL4597441 | 0.82 | ALDH1A1 (0.39) | CA1CA2CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL4128161 | 0.82 | F2 (0.47) | SRD5A2PPARGKDM4EF2 | |
| SCHEMBL5575510 | 0.82 | PTGDR2 (0.46) | SMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL5572824 | 0.81 | KDM4E (0.43) | TDP1CYP1A2CYP2C19SMN1; SMN2MAP4K4 | |
| SCHEMBL4598347 | 0.81 | ALDH1A1 (0.50) | CYP1A2CYP2C19MAP4K4ALDH1A1KDM4E | |
| SCHEMBL13809841 | 0.81 | MAP4K4 (0.40) | PARP10CYP1A2CYP2C19MAP4K4ALDH1A1 | |
| SCHEMBL5575614 | 0.81 | PTGS2 (0.43) | CYP1A2 | |
| SCHEMBL5575305 | 0.80 | KDM4E (0.42) | TDP1CYP1A2CYP2C19SMN1; SMN2MAP4K4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009075960-A1 | CCR5 ANTAGONISTS AS THERAPEUTIC AGENTS | SMITHKLINE BEECHAM CORPORATION (US) | 2009-06-18 | — | — | WO | disclosed |
| WO-2009075960-A1 | CCR5 ANTAGONISTS AS THERAPEUTIC AGENTS | SMITHKLINE BEECHAM CORPORATION (US) | 2009-06-18 | — | — | WO | disclosed |
| WO-2009058924-A1 | CCR5 ANTAGONISTS AS THERAPEUTIC AGENTS | SMITHKLINE BEECHAM CORPORATION (US) | 2009-05-07 | — | — | WO | disclosed |
| WO-2009058924-A1 | CCR5 ANTAGONISTS AS THERAPEUTIC AGENTS | SMITHKLINE BEECHAM CORPORATION (US) | 2009-05-07 | — | — | WO | disclosed |