Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA7 | P43166 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7837273 | 0.92 | TSHR (0.45) | TSHRADRB2MEN1KMT2ALMNA | |
| SCHEMBL7834762 | 0.88 | MEN1 (0.44) | TSHRADRB2MEN1KMT2ALMNA | |
| SCHEMBL7832340 | 0.86 | TSHR (0.48) | TSHRADRB2CA12CA1CA2 | |
| SCHEMBL7832805 | 0.85 | TSHR (0.62) | TSHRADRB2CA12CA1CA2 | |
| SCHEMBL7837276 | 0.82 | TSHR (0.50) | TSHRADRB2MEN1KMT2ALMNA | |
| SCHEMBL7838453 | 0.82 | ADRB2 (0.49) | TSHRADRB2MEN1KMT2ALMNA | |
| SCHEMBL7832660 | 0.81 | ADRB2 (0.46) | TSHRADRB2MEN1KMT2ALMNA | |
| SCHEMBL7823407 | 0.80 | TSHR (0.38) | TSHRADRB2MEN1KMT2ALMNA | |
| SCHEMBL6317736 | 0.79 | NPSR1 (0.49) | TSHRMEN1KMT2ALMNAALDH1A1 | |
| SCHEMBL7836064 | 0.79 | TSHR (0.47) | TSHRADRB2MEN1KMT2ALMNA |
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 |