Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 5/20 | 0.77 |
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16180337 | 0.90 | SLC6A4 (0.66) | SLC6A4SIGMAR1CYP1A2CYP2D6CYP3A4 | |
| SCHEMBL16180336 | 0.90 | SLC6A4 (0.66) | SLC6A4SIGMAR1CYP1A2CYP2D6CYP3A4 | |
| SCHEMBL18162763 | 0.85 | SLC6A4 (0.59) | SLC6A4SIGMAR1CYP1A2CYP2D6CYP3A4 | |
| SCHEMBL5305420 | 0.78 | SLC6A4 (0.65) | SLC6A4CYP1A2CYP2D6CYP3A4TSHR | |
| SCHEMBL23728223 | 0.73 | ADRB2 (0.53) | SLC6A4SIGMAR1CYP2D6CYP3A4TSHR | |
| SCHEMBL21479617 | 0.73 | SLC6A4 (0.46) | SLC6A4 | |
| SCHEMBL23716363 | 0.71 | SLC6A2 (0.46) | SLC6A4SIGMAR1CYP1A2CYP2D6CYP3A4 | |
| SCHEMBL19285610 | 0.71 | TAAR1 (0.62) | SLC6A4SIGMAR1CYP1A2CYP2D6CYP3A4 | |
| SCHEMBL25165279 | 0.70 | — | — | |
| SCHEMBL4584287 | 0.70 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3168256-B1 | EYEWEAR MATERIAL COMPRISING A POLYURETHANE RESIN, EYEWEAR FRAME AND LENS | MITSUI CHEMICALS INC (JP) | 2019-08-07 | — | — | EP | disclosed |
| EP-3037411-B1 | 1,4-BIS(ISOCYANATOMETHYL)CYCLOHEXANE, POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN, MOLDED ARTICLE, EYEWEAR MATERIAL, EYEWEAR FRAME AND LENS | MITSUI CHEMICALS INC (JP) | 2019-03-27 | — | — | EP | disclosed |
| EP-3168256-A1 | 1,4-BIS(ISOCYANATOMETHYL)CYCLOHEXANE, POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN, MOLDED ARTICLE, EYEWEAR MATERIAL, EYEWEAR FRAME, AND LENS | Mitsui Chemicals, Inc. (JP) | 2017-05-17 | — | — | EP | disclosed |
| US-9475903-B2 | 1,4-bis(isocyanatomethyl)cyclohexane, polyisocyanate composition, polyurethane resin, molded article, eyewear material, eyewear frame, and lens | MITSUI CHEMICALS, INC. (JP) | 2016-10-25 | — | — | US | disclosed |
| EP-3037411-A1 | 1,4-BIS(ISOCYANATOMETHYL)CYCLOHEXANE, POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN, MOLDED PRODUCT, EYEWEAR MATERIAL, EYEWEAR FRAME AND LENS | Mitsui Chemicals, Inc. (JP) | 2016-06-29 | — | — | EP | disclosed |