Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.51 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.51 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.51 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.50 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL14793753 | 0.89 | TDP1 (0.52) | TDP1GABRA1GABRB1GABRA3GABRB2 | |
| SCHEMBL22479157 | 0.87 | GABRA1 (0.49) | TDP1GABRA1GABRB1GABRA3GABRB2 | |
| SCHEMBL16920143 | 0.87 | NR4A2 (0.61) | GABRA1GABRB1GABRA3GABRB2ALDH1A1 | |
| SCHEMBL28794896 | 0.87 | ALDH1A1 (0.51) | TDP1GABRA1GABRB1GABRA3GABRB2 | |
| SCHEMBL3264030 | 0.86 | NR4A2 (0.61) | TDP1GABRA1GABRB1GABRA3GABRB2 | |
| SCHEMBL2050904 | 0.82 | GABRA1 (0.61) | GABRA1GABRB1GABRA3GABRB2ALDH1A1 | |
| SCHEMBL24205751 | 0.79 | ALDH1A1 (0.64) | TDP1ALDH1A1LMNAGLACYP2C9 | |
| SCHEMBL22479155 | 0.79 | ALDH1A1 (0.49) | TDP1GABRA1GABRB1GABRA3GABRB2 | |
| SCHEMBL4030619 | 0.78 | TRPM8 (0.63) | GABRA1GABRB1GABRA3GABRB2ALDH1A1 | |
| SCHEMBL1081795 | 0.77 | F7 (0.66) | TDP1ALDH1A1LMNAGLACYP2C9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1344270-A | Functionalized heterocycles as chemokine receptor modulators | THOUSAND YEARS MEDICAMENTS INC (US) | 2002-04-10 | — | — | CN | disclosed |
| EP-1144415-A2 | FUNCTIONALIZED HETEROCYCLES AS CHEMOKINE RECEPTOR MODULATORS | WARNER-LAMBERT COMPANY (US) | 2001-10-17 | — | — | EP | disclosed |
| WO-2000042045-A2 | FUNCTIONALIZED HETEROCYCLES AS CHEMOKINE RECEPTOR MODULATORS | WARNER-LAMBERT COMPANY (US) | 2000-07-20 | — | — | WO | disclosed |