Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 6/20 | 0.48 |
| ▸ | CA1 | P00915 | 6/20 | 0.48 |
| ▸ | CA2 | P00918 | 6/20 | 0.48 |
| ▸ | CA7 | P43166 | 6/20 | 0.48 |
| ▸ | CA9 | Q16790 | 6/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 6/20 | 0.48 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | CA4 | P22748 | 2/20 | 0.32 |
| ▸ | CA6 | P23280 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.32 |
| ▸ | BID | P55957 | 4/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 4/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3837543 | 0.80 | SELL (0.41) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6630310 | 0.80 | CA12 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2779285 | 0.78 | ALDH1A1 (0.37) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8641020 | 0.77 | TDP1 (0.38) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6519228 | 0.77 | CA12 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6632842 | 0.72 | CA12 (0.42) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6630725 | 0.72 | ALDH1A1 (0.32) | ALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL1191220 | 0.71 | CA2 (0.44) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2971000 | 0.70 | CA1 (0.68) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29419955 | 0.70 | CA1 (0.68) | CA12CA1CA2CA7CA9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |