Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.53 |
| ▸ | CA2 | P00918 | 5/20 | 0.53 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.53 |
| ▸ | PARP1 | P09874 | 1/20 | 0.53 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.53 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.46 |
| ▸ | ACR | P10323 | 1/20 | 0.46 |
| ▸ | TGM2 | P21980 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28103049 | 0.84 | ALDH1A1 (0.44) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL28213866 | 0.83 | CA1 (0.57) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL7061292 | 0.83 | CES2 (0.58) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL28097763 | 0.82 | PARP1 (0.54) | PARP1CES2CES1PRSS1ACR | |
| SCHEMBL28103050 | 0.82 | CA12 (0.52) | CA1CA2MAPTSMN1; SMN2NPC1 | |
| SCHEMBL450454 | 0.82 | ELANE (0.61) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL28833766 | 0.79 | MAPT (0.51) | CA1CA2MAPTSMN1; SMN2NPC1 | |
| SCHEMBL28097833 | 0.79 | PRSS1 (0.50) | CA1CA2MAPTSMN1; SMN2NPC1 | |
| SCHEMBL28097757 | 0.79 | RAB9A (0.47) | SMN1; SMN2NPC1RAB9ALMNACYP2C19 | |
| SCHEMBL27505259 | 0.79 | ELANE (0.49) | PARP10MAPTPRSS1ACRPRSS2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103664974-B | Aryl [a] indole [2,3-g] quinolizine compounds, its preparation method, pharmaceutical composition and application thereof | 中国科学院上海药物研究所 | 2016-12-21 | — | — | CN | disclosed |
| CN-103917094-B | Glucosylceramide Synthase Inhibitors | 建新公司 | 2016-11-09 | — | — | CN | disclosed |
| CN-105899508-A | Novel dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection | 豪夫迈·罗氏有限公司 | 2016-08-24 | — | — | CN | disclosed |
| CN-105712812-A | Chiral beta-arylamine compounds prepared by asymmetric reductive amination reaction and preparation method of chiral beta-arylamine compounds | 西北农林科技大学 | 2016-06-29 | — | — | CN | disclosed |