Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPMT | P51580 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.30 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.30 |
| ▸ | SLC22A3 | O75751 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21242007 | 0.78 | KDM1A (0.41) | CA1CA2 | |
| SCHEMBL18791028 | 0.75 | TPMT (0.44) | TPMTCA1CA2GSK3BESR1 | |
| SCHEMBL23192504 | 0.73 | TPMT (0.35) | TPMTCA1CA2GSK3BESR1 | |
| SCHEMBL5634189 | 0.72 | TPMT (0.38) | TPMTCA1CA2GSK3BESR1 | |
| SCHEMBL5634190 | 0.72 | TPMT (0.38) | TPMTCA1CA2GSK3BESR1 | |
| SCHEMBL6487665 | 0.72 | TPMT (0.38) | TPMTCA1CA2GSK3BESR1 | |
| SCHEMBL18512951 | 0.70 | NOS1 (0.32) | — | |
| SCHEMBL10227408 | 0.67 | TPMT (0.46) | TPMTCA1CA2GSK3BSLC22A2 | |
| SCHEMBL29280460 | 0.67 | NR4A2 (0.59) | TPMTCA1CA2GSK3BESR1 | |
| SCHEMBL557118 | 0.67 | NR4A2 (0.59) | TPMTCA1CA2GSK3BESR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015097121-A9 | COMPOUNDS USEFUL AS CCR9 MODULATORS | NORGINE B.V. (NL) | 2015-09-03 | — | — | WO | disclosed |
| WO-2015097121-A1 | COMPOUNDS USEFUL AS CCR9 MODULATORS | NORGINE B.V. (NL) | 2015-07-02 | — | — | WO | disclosed |