Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | MPL | P40238 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | ATIC | P31939 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | CTRC | Q99895 | 1/20 | 0.31 |
| ▸ | F2 | P00734 | 1/20 | 0.30 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.30 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL392930 | 0.72 | CYP2D6 (0.61) | CYP2D6ALDH1A1TSHRSMN1; SMN2CTRB1 | |
| SCHEMBL4668722 | 0.72 | CYP2D6 (0.40) | CYP2D6TSHRSMN1; SMN2MPLTTR | |
| SCHEMBL8157500 | 0.71 | CYP2D6 (0.59) | CYP2D6ALDH1A1TSHRSMN1; SMN2CTRB1 | |
| SCHEMBL8157494 | 0.71 | CYP2D6 (0.59) | CYP2D6ALDH1A1TSHRSMN1; SMN2CTRB1 | |
| Hydrochloric Acid SCHEMBL27596429 | 0.71 | CYP2D6 (0.59) | CYP2D6ALDH1A1TSHRSMN1; SMN2CTRB1 | |
| SCHEMBL760004 | 0.70 | CYP2D6 (0.39) | CYP2D6ALDH1A1TSHRSMN1; SMN2CTRB1 | |
| SCHEMBL6633977 | 0.70 | TTR (0.43) | CYP2D6ALDH1A1TSHRSMN1; SMN2CTRB1 | |
| SCHEMBL41541 | 0.69 | CYP2D6 (0.53) | CYP2D6ALDH1A1TSHRCTRB1CA1 | |
| SCHEMBL3262066 | 0.69 | CYP2D6 (0.66) | CYP2D6ALDH1A1TSHRCTRB1MPL | |
| SCHEMBL3213538 | 0.69 | CYP2D6 (0.66) | CYP2D6ALDH1A1CTRB1MPLCYP1A2 |
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 |