Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | DRD3 | P35462 | 2/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.31 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Propane SCHEMBL6193423 | 0.92 | — | — | |
| SCHEMBL129324 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL1031787 | 0.84 | — | — | |
| SCHEMBL29575307 | 0.84 | — | — | |
| SCHEMBL28199189 | 0.84 | — | — | |
| Butyric Acid SCHEMBL29012003 | 0.80 | FFAR3 (0.46) | MAPTMEN1USP2ALOX15KMT2A | |
| Butyric Acid SCHEMBL28642251 | 0.79 | FFAR3 (0.45) | MAPTMEN1USP2ALOX15KMT2A | |
| Ethoxycarbonyl Group SCHEMBL27866715 | 0.76 | MAPT (0.38) | MAPTMEN1USP2ALOX15KMT2A | |
| Toluene SCHEMBL27736536 | 0.75 | ACHE (0.48) | TAAR1MEN1KMT2AKCNH2CYP2A6 | |
| Phosphonic Acid SCHEMBL27762789 | 0.73 | CES2 (0.39) | TAAR1MAPTMEN1USP2ALOX15 |
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-106687450-B | A kind of indoles amine -2,3- dioxygenase inhibitor and preparation method thereof | 中国科学院上海有机化学研究所 | 2019-08-16 | — | — | CN | disclosed |
| CN-106687450-A | Indoleamine-2,3-dioxygenase inhibitor and preparation method therefor | 中国科学院上海有机化学研究所 | 2017-05-17 | — | — | CN | disclosed |