Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10516 | 0.82 | — | — | |
| SCHEMBL4444880 | 0.80 | ALDH1A1 (0.39) | ALDH1A1ATMHPGDTSHRCES2 | |
| SCHEMBL29287853 | 0.79 | ADRB2 (0.41) | ALDH1A1CA1CA2ATMHPGD | |
| Methane SCHEMBL7217295 | 0.79 | ADRB2 (0.41) | ALDH1A1CA1CA2ATMHPGD | |
| Ethylene Glycol SCHEMBL7173613 | 0.78 | TSHR (0.48) | ALDH1A1ATMHPGDTSHRACHE | |
| Hexane SCHEMBL5781814 | 0.77 | ALDH1A1 (0.62) | ALDH1A1CA1CA2EPHX1CES2 | |
| Hexane SCHEMBL3254219 | 0.77 | ALDH1A1 (0.62) | ALDH1A1CA1CA2EPHX1CES2 | |
| Hexane SCHEMBL849892 | 0.77 | ALDH1A1 (0.62) | ALDH1A1CA1CA2EPHX1CES2 | |
| Pentane SCHEMBL10795240 | 0.77 | ALDH1A1 (0.62) | ALDH1A1CA1CA2EPHX1TSHR | |
| Pentane SCHEMBL7163378 | 0.77 | ALDH1A1 (0.62) | ALDH1A1CA1CA2EPHX1TSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021213380-A1 | SOLID FORM OF PYRAZINE SUBSTITUTED NICOTINAMIDE, AND PREPARATION AND USE THEREOF | 深圳市塔吉瑞生物医药有限公司 (CN) | 2021-10-28 | — | — | WO | disclosed |