Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 1/20 | 0.56 |
| ▸ | KAT8 | Q9H7Z6 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | HTR1A | P08908 | 1/20 | 0.55 |
| ▸ | ESR1 | P03372 | 2/20 | 0.51 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.51 |
| ▸ | TACR2 | P21452 | 2/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.51 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | SHBG | P04278 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL7785540 | 1.00 | SMPD1 (0.56) | SMPD1KAT8CYP3A4CYP1A2CYP2C8 | |
| SCHEMBL7784173 | 1.00 | SMPD1 (0.56) | SMPD1KAT8CYP3A4CYP1A2CYP2C8 | |
| SCHEMBL7777461 | 1.00 | SMPD1 (0.56) | SMPD1KAT8CYP3A4CYP1A2CYP2C8 | |
| SCHEMBL7782169 | 0.89 | SMPD1 (0.57) | SMPD1CYP3A4CYP1A2CYP2C8CYP2C9 | |
| SCHEMBL20399450 | 0.89 | KAT8 (0.53) | KAT8CYP3A4CYP1A2CYP2C8CYP2C9 | |
| SCHEMBL8024275 | 0.87 | CYP3A4 (0.65) | SMPD1KAT8CYP3A4CYP1A2CYP2C8 | |
| SCHEMBL7782157 | 0.87 | SMPD1 (0.55) | SMPD1CYP3A4CYP1A2CYP2C8CYP2C9 | |
| SCHEMBL9008218 | 0.87 | KAT8 (0.58) | KAT8CYP3A4CYP1A2CYP2C8CYP2C9 | |
| SCHEMBL16609989 | 0.85 | HTR1A (0.72) | CYP3A4CYP1A2CYP2C8CYP2C9CYP2B6 | |
| SCHEMBL7246840 | 0.85 | HTR1A (0.72) | CYP3A4CYP1A2CYP2C8CYP2C9CYP2B6 |
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 |