Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | SELL | P14151 | 1/20 | 0.41 |
| ▸ | SELP | P16109 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | CA12 | O43570 | 3/20 | 0.40 |
| ▸ | CA1 | P00915 | 3/20 | 0.40 |
| ▸ | CA2 | P00918 | 3/20 | 0.40 |
| ▸ | CA7 | P43166 | 3/20 | 0.40 |
| ▸ | CA9 | Q16790 | 3/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6631084 | 0.79 | ALDH1A1 (0.46) | CYP1A2SELLSELPALDH1A1CA12 | |
| SCHEMBL6635343 | 0.79 | CA1 (0.38) | SELLSELPALDH1A1CA12CA1 | |
| SCHEMBL2779477 | 0.77 | CYP1A2 (0.44) | CYP1A2SELLSELPALDH1A1CA12 | |
| SCHEMBL29208048 | 0.69 | SELL (0.75) | CYP1A2SELLSELPALDH1A1CA12 | |
| SCHEMBL6632562 | 0.68 | CA1 (0.38) | SELLSELPALDH1A1CA12CA1 | |
| SCHEMBL2779103 | 0.67 | TSHR (0.48) | CYP1A2ALDH1A1CA12CA1CA2 | |
| SCHEMBL29860525 | 0.66 | SELL (0.79) | CYP1A2SELLSELPALDH1A1CA12 | |
| SCHEMBL16442455 | 0.66 | TSHR (0.42) | CYP1A2SELLSELPALDH1A1CA12 | |
| SCHEMBL176255 | 0.66 | SELL (0.79) | CYP1A2SELLSELPALDH1A1CA12 | |
| SCHEMBL5418093 | 0.65 | KDM4E (0.41) | ALDH1A1CA12CA1CA2CA7 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1444207-A2 | SUBSTITUTED PYRAZOLYL-COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | Pharmacia Corporation (US) | 2004-08-11 | — | — | EP | claimed |
| WO-2003024935-A2 | SUBSTITUTED PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | PHARMACIA CORPORATION (US) | 2003-03-27 | — | — | WO | claimed |
| CN-1276035-C | Water-color ink | MITSUI CHEMICALS INC (JP) | 2006-09-20 | — | — | CN | disclosed |
| CN-1558934-A | Water-color ink | 三井化学株式会社 | 2004-12-29 | — | — | CN | disclosed |
| US-20040231558-A1 | Has a clear hue, high light fastness and high moisture resistance | MITSUI CHEMICALS, INC. (JP) | 2004-11-25 | — | — | US | disclosed |
| EP-1441013-A1 | WATERCOLOR INK | Mitsui Chemicals, Inc. (JP) | 2004-07-28 | — | — | EP | disclosed |