Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 7/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 3/20 | 0.35 |
| ▸ | MAOA | P21397 | 2/20 | 0.35 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | RGS12 | O14924 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | RAD52 | P43351 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Benzofuran SCHEMBL29006510 | 0.87 | MEN1 (0.39) | MAOBMAOAFTOMEN1NPC1 | |
| Benzofuran SCHEMBL5860505 | 0.83 | MAOA (0.39) | MAOBMAOAFTOLMNAMCL1 | |
| Naphthalene SCHEMBL27264348 | 0.79 | TSHR (0.57) | ALDH1A1TSHRMEN1NPC1KMT2A | |
| Benzofuran SCHEMBL7085367 | 0.77 | CTNNB1 (0.41) | MAOBMAOAFTO | |
| Benzofuran SCHEMBL9296271 | 0.77 | LOXL2 (0.39) | MAOBMAOAFTOLMNAMCL1 | |
| Naphthalene SCHEMBL28243813 | 0.77 | TSHR (0.55) | ALDH1A1TSHRMAOAMEN1NPC1 | |
| Naphthalene SCHEMBL27993437 | 0.77 | TSHR (0.62) | ALDH1A1TSHRMEN1NPC1KMT2A | |
| Benzofuran SCHEMBL28385283 | 0.77 | CTNNB1 (0.43) | FAAHMAOBMAOALMNAHTT | |
| Benzofuran SCHEMBL29393518 | 0.77 | — | — | |
| Benzofuran SCHEMBL3160534 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110831938-A | Process for the preparation of sitagliptin and intermediates thereof | 台湾神隆股份有限公司 | 2020-02-21 | — | — | CN | disclosed |
| CN-101367784-B | Acrylonitrile compound and preparation method and application thereof | JIANGSU PESTICIDE RES INST COMPANY LTD | 2012-05-30 | — | — | CN | disclosed |
| CN-101367784-A | Vinyl cyanide compounds, preparation and application thereof | NANJING PESTICIDE FACTORY OF J (CN) | 2009-02-18 | — | — | CN | disclosed |