Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 4/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.34 |
| ▸ | RELA | Q04206 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 5/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.34 |
| ▸ | ESR1 | P03372 | 3/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.33 |
| ▸ | ABL1 | P00519 | 2/20 | 0.33 |
| ▸ | TTR | P02766 | 2/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8736147 | 1.00 | SMN1; SMN2 (0.36) | SMN1; SMN2CYP1A2HPGDNPC1RAB9A | |
| SCHEMBL8736170 | 0.92 | TRPA1 (0.47) | CYP1A2HPGDKDM4ETRPA1RELA | |
| SCHEMBL8736174 | 0.92 | TRPA1 (0.47) | CYP1A2HPGDKDM4ETRPA1RELA | |
| SCHEMBL10535681 | 0.85 | — | — | |
| SCHEMBL992478 | 0.83 | ALDH1A1 (0.46) | TRPA1ALDH1A1TDP1 | |
| SCHEMBL8736156 | 0.82 | SMN1; SMN2 (0.36) | SMN1; SMN2CYP1A2HPGDNPC1RAB9A | |
| SCHEMBL8736157 | 0.82 | SMN1; SMN2 (0.36) | SMN1; SMN2CYP1A2HPGDNPC1RAB9A | |
| SCHEMBL3350857 | 0.76 | CYP1A2 (0.43) | SMN1; SMN2CYP1A2HPGDNPC1RAB9A | |
| SCHEMBL3350851 | 0.76 | CYP1A2 (0.43) | SMN1; SMN2CYP1A2HPGDNPC1RAB9A | |
| SCHEMBL8736130 | 0.75 | TRPA1 (0.47) | CYP1A2HPGDKDM4ETRPA1RELA |
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-0722959-B1 | Highly oxygen-permeable heat-resistant material | MENICON CO LTD (JP) | 1998-04-08 | — | — | EP | disclosed |
| US-5587445-A | Highly oxygen-permeable heat-resistant material | MENICON CO., LTD. (JP) | 1996-12-24 | — | — | US | disclosed |
| EP-0722959-A2 | Highly oxygen-permeable heat-resistant material | Menicon Co., Ltd. (JP) | 1996-07-24 | — | — | EP | disclosed |