Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 4/20 | 0.46 |
| ▸ | ACHE | P22303 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.41 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL23175680 | 0.86 | ACHE (0.50) | MAOBACHEKDM4EGPR35ALDH1A1 | |
| SCHEMBL26226599 | 0.79 | ACHE (0.45) | MAOBACHEKDM4EGPR35ALDH1A1 | |
| SCHEMBL30010802 | 0.79 | ACHE (0.65) | MAOBACHEKDM4EGPR35ALDH1A1 | |
| SCHEMBL10901732 | 0.79 | ACHE (0.65) | MAOBACHEKDM4EGPR35ALDH1A1 | |
| SCHEMBL29383343 | 0.76 | ACHE (0.52) | MAOBACHENPC1RAB9ABCHE | |
| SCHEMBL2721292 | 0.76 | ACHE (0.52) | MAOBACHENPC1RAB9ABCHE | |
| SCHEMBL26225601 | 0.75 | MAOB (0.40) | MAOBACHEKDM4EGPR35ALDH1A1 | |
| Hydrochloric Acid SCHEMBL10902525 | 0.75 | ACHE (0.51) | MAOBACHENPC1RAB9ABCHE | |
| SCHEMBL9200232 | 0.74 | MAOB (0.45) | MAOBACHEKDM4EGPR35ALDH1A1 | |
| SCHEMBL23175421 | 0.73 | F2RL3 (0.35) | ACHEALDH1A1TSHRBCHE |
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-2021057890-A1 | 2H-BENZOPYRAN DERIVATIVES AS CRAC INHIBITORS | 南京明德新药研发有限公司 | 2021-04-01 | — | — | WO | disclosed |