Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 6/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | PLD1 | Q13393 | 2/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | NCF1 | P14598 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL27485207 | 0.87 | MEN1 (0.50) | SLC6A4MEN1KMT2AKCNH2CHRM2 | |
| Pyridine SCHEMBL28163287 | 0.80 | SLC6A4 (0.42) | SLC6A4MEN1KMT2AKCNA5KCNH2 | |
| SCHEMBL1706403 | 0.80 | MEN1 (0.39) | SLC6A4MEN1KMT2ACHRM2CHRM1 | |
| SCHEMBL5387 | 0.80 | — | — | |
| SCHEMBL77101 | 0.80 | — | — | |
| Dalfampridine SCHEMBL28071149 | 0.78 | ADRB2 (0.46) | SLC6A4MEN1KMT2AKCNA5KCNH2 | |
| SCHEMBL12403231 | 0.78 | MEN1 (0.38) | SLC6A4MEN1KMT2ACHRM2CHRM1 | |
| Iodide SCHEMBL30375035 | 0.78 | MEN1 (0.38) | SLC6A4MEN1KMT2ACHRM2CHRM1 | |
| Hydrochloric Acid SCHEMBL522550 | 0.78 | MEN1 (0.38) | SLC6A4MEN1KMT2ACHRM2CHRM1 | |
| SCHEMBL13509549 | 0.78 | MEN1 (0.38) | SLC6A4MEN1KMT2ACHRM2CHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103298474-B | Heterocyclic compound and application thereof | 无限药品股份有限公司 | 2016-06-29 | — | — | CN | disclosed |