Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 1/20 | 0.55 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7782169 | 0.98 | SMPD1 (0.57) | SMPD1TRPA1ESR1CYP1A2CYP3A4 | |
| SCHEMBL7785561 | 0.89 | TRPA1 (0.53) | SMPD1TRPA1 | |
| SCHEMBL7785540 | 0.87 | SMPD1 (0.56) | SMPD1ESR1CYP1A2CYP3A4CYP2C8 | |
| SCHEMBL7785545 | 0.87 | SMPD1 (0.56) | SMPD1ESR1CYP1A2CYP3A4CYP2C8 | |
| SCHEMBL7777461 | 0.87 | SMPD1 (0.56) | SMPD1ESR1CYP1A2CYP3A4CYP2C8 | |
| SCHEMBL7784173 | 0.87 | SMPD1 (0.56) | SMPD1ESR1CYP1A2CYP3A4CYP2C8 | |
| SCHEMBL27962824 | 0.84 | GABRA1 (0.50) | SMPD1ESR1CYP1A2CYP3A4CYP2C8 | |
| SCHEMBL29102215 | 0.83 | CNR2 (0.64) | SMPD1CYP3A4 | |
| SCHEMBL7928896 | 0.83 | SMPD1 (0.48) | SMPD1ESR1CYP1A2CYP3A4CYP2C8 | |
| SCHEMBL30528065 | 0.82 | SMPD1 (0.57) | SMPD1ESR1CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0873881-B1 | Reversible thermochromic compositions | PILOT INK CO LTD (JP) | 2001-10-17 | — | — | EP | disclosed |
| US-5919404-A | MIXTURE OF COLOR DEVELOPING COMPOUND AND ELECTRON ACCEPTORALKOXYPHENOL COMPOUND | THE PILOT INK CO., LTD. (JP) | 1999-07-06 | — | — | US | disclosed |
| EP-0873881-A1 | Reversible thermochromic compositions | The Pilot Ink CO., Ltd. (JP) | 1998-10-28 | — | — | EP | disclosed |