Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | CASP1 | P29466 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | CASP7 | P55210 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1044574 | 0.81 | CYP2A6 (0.33) | CYP2A6TSHRCYP1A2ALDH1A1HSD17B10 | |
| Hydrochloric Acid SCHEMBL5171036 | 0.81 | CYP2A6 (0.33) | CYP2A6TSHRCYP1A2ALDH1A1HSD17B10 | |
| Hydrochloric Acid SCHEMBL7122445 | 0.81 | CYP2A6 (0.33) | CYP2A6TSHRCYP1A2ALDH1A1HSD17B10 | |
| SCHEMBL7074507 | 0.79 | CYP2A6 (0.33) | CYP2A6TSHRCYP1A2ALDH1A1HSD17B10 | |
| Hydrochloric Acid SCHEMBL4009536 | 0.76 | CYP1A2 (0.30) | CYP2A6TSHRCYP1A2 | |
| Hydrochloric Acid SCHEMBL4015474 | 0.74 | CYP1A2 (0.31) | CYP2A6TSHRCYP1A2 | |
| Hydrochloric Acid SCHEMBL6056193 | 0.72 | MECP2 (0.30) | — | |
| Hydrochloric Acid SCHEMBL6056160 | 0.72 | MECP2 (0.30) | — | |
| Hydrochloric Acid SCHEMBL7640986 | 0.72 | CYP1A2 (0.32) | CYP1A2CYP2C19 | |
| Hydrochloric Acid SCHEMBL5091217 | 0.71 | CYP2A6 (0.38) | CYP2A6TSHRCYP1A2ALDH1A1HSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1268575-A2 | NITROGEN-CONTAINING GROUP-13 ANIONIC COMPOUNDS FOR OLEFIN POLYMERIZATION | ExxonMobil Chemical Patents Inc. (US) | 2003-01-02 | — | — | EP | disclosed |
| WO-2001081435-A2 | NITROGEN-CONTAINING GROUP-13 ANIONIC COMPOUNDS FOR OLEFIN POLYMERIZATION | EXXONMOBIL CHEMICAL PATENTS, INC. (US) | 2001-11-01 | — | — | WO | disclosed |