Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | CDC25B | P30305 | 2/20 | 0.43 |
| ▸ | TNF | P01375 | 2/20 | 0.43 |
| ▸ | CDC25A | P30304 | 1/20 | 0.41 |
| ▸ | CDC25C | P30307 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | GLA | P06280 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CASP1 | P29466 | 2/20 | 0.40 |
| ▸ | CASP7 | P55210 | 2/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL7689755 | 0.88 | TSHR (0.46) | TSHRCDC25BTNFCDC25ACDC25C | |
| SCHEMBL7688128 | 0.86 | TSHR (0.45) | TSHRCDC25BTNFCDC25ACDC25C | |
| SCHEMBL29664577 | 0.82 | CNR2 (0.44) | TSHRHSD17B10ALDH1A1HPGDCNR1 | |
| SCHEMBL18394802 | 0.82 | CNR2 (0.44) | TSHRHSD17B10ALDH1A1HPGDCNR1 | |
| SCHEMBL7690871 | 0.78 | PIM1 (0.41) | KDM4E | |
| SCHEMBL18412890 | 0.78 | MAPK1 (0.44) | TSHRHSD17B10ALDH1A1HPGDCNR1 | |
| SCHEMBL7686232 | 0.78 | TSHR (0.46) | TSHRCDC25BCDC25ACDC25CHSD17B10 | |
| SCHEMBL19602451 | 0.74 | CYP24A1 (0.51) | HSD17B10ALDH1A1KDM4EHPGDGAA | |
| SCHEMBL6919488 | 0.73 | ALDH1A1 (0.41) | TSHRHSD17B10ALDH1A1KDM4E | |
| SCHEMBL2936506 | 0.72 | CNR1 (0.67) | TSHRALDH1A1GAACNR1CNR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6362201-B1 | ANTIINFLAMMATORY AGENTS; ANTIALLERGENS | MERCK & CO., INC. | 2002-03-26 | — | — | US | disclosed |
| WO-2000051607-A1 | 3-CYCLOPROPYL AND 3-CYCLOBUTYL PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-09-08 | — | — | WO | disclosed |