Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 4/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | AGXT | P21549 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28675261 | 0.85 | IDO1 (0.44) | IDO1TAAR1LMNACYP2A6AGXT | |
| SCHEMBL28680016 | 0.78 | PNMT (0.52) | IDO1TAAR1AGXTMAOBCYP1A2 | |
| SCHEMBL28659470 | 0.77 | IDO1 (0.46) | IDO1TAAR1LMNAAGXTMAOB | |
| SCHEMBL28660908 | 0.75 | TAAR1 (0.41) | IDO1TAAR1LMNACYP2A6HTR2A | |
| SCHEMBL28656020 | 0.75 | IDO1 (0.44) | IDO1TAAR1LMNACYP2A6AGXT | |
| Trifluoroacetic Acid SCHEMBL29007616 | 0.74 | MIF (0.44) | MEN1KMT2AALDH1A1 | |
| SCHEMBL25263956 | 0.74 | CALM1 (0.43) | IDO1TAAR1CYP2A6HTR2AALDH1A1 | |
| SCHEMBL31739253 | 0.74 | CALM1 (0.43) | IDO1TAAR1CYP2A6HTR2AALDH1A1 | |
| SCHEMBL9457596 | 0.73 | IDO1 (0.42) | IDO1TAAR1LMNACYP2A6AGXT | |
| SCHEMBL28713316 | 0.73 | HTT (0.42) | ALDH1A1MAOB |
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 |
|---|---|---|---|---|---|---|---|
| CN-109071562-B | Fused 1, 4-oxazepine and related analogs as BET bromodomain inhibitors | 密执安大学评议会 | 2022-03-22 | — | — | CN | disclosed |
| CN-110294776-B | Method for preparing aryl phosphine oxide derivative | 苏州大学 | 2021-12-10 | — | — | CN | disclosed |