Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 7/20 | 0.40 |
| ▸ | CA1 | P00915 | 7/20 | 0.40 |
| ▸ | CA2 | P00918 | 7/20 | 0.40 |
| ▸ | CA9 | Q16790 | 7/20 | 0.40 |
| ▸ | CA7 | P43166 | 6/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 6/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 4/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | CA4 | P22748 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | CA3 | P07451 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6632482 | 0.80 | CA12 (0.48) | CA12CA1CA2CA9CA7 | |
| SCHEMBL6632083 | 0.80 | CA1 (0.43) | CA12CA1CA2CA9CA7 | |
| SCHEMBL27385183 | 0.74 | MAPT (0.50) | CA12CA1CA2CA9CA7 | |
| SCHEMBL6630470 | 0.68 | CA1 (0.45) | CA12CA1CA2CA9CA7 | |
| SCHEMBL25220042 | 0.68 | CYP3A4 (0.59) | ALDH1A1CYP3A4HPGDMAPTKDM4E | |
| SCHEMBL132653 | 0.67 | — | — | |
| SCHEMBL27465063 | 0.65 | CA1 (0.42) | CA12CA1CA2CA9CA7 | |
| SCHEMBL1191220 | 0.64 | CA2 (0.44) | CA12CA1CA2CA9CA7 | |
| SCHEMBL29153390 | 0.64 | — | — | |
| SCHEMBL2778570 | 0.62 | KDM4E (0.37) | CA12CA1CA2CA9CA7 |
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 |