Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | TDO2 | P48775 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | C1S | P09871 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | PGK1 | P00558 | 1/20 | 0.38 |
| ▸ | PGK2 | P07205 | 1/20 | 0.38 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL31476387 | 0.81 | IDO1 (0.47) | IDO1TDO2CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL5911692 | 0.81 | CYP3A4 (0.47) | IDO1TDO2CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL5872085 | 0.81 | IDO1 (0.47) | IDO1TDO2CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL5773097 | 0.81 | CYP3A4 (0.47) | IDO1TDO2CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL241692 | 0.81 | IDO1 (0.47) | IDO1TDO2CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL1561689 | 0.81 | TSHR (0.48) | IDO1TDO2CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL3839561 | 0.79 | SLC6A2 (0.41) | IDO1TDO2CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL15456282 | 0.79 | IDO1 (0.46) | IDO1TDO2CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL27689825 | 0.79 | IDO1 (0.46) | IDO1TDO2CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL6204787 | 0.77 | IDO1 (0.44) | IDO1TDO2CYP3A4CYP2D6SLC6A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3162806-A2 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME | Heesung Material Ltd. (KR) | 2017-05-03 | — | — | EP | disclosed |
| CN-1913898-A | Substituted piperazines | CHEMOCENTRYX INC (US) | 2007-02-14 | — | — | CN | disclosed |
| US-6489487-B1 | AGRICULTURAL OR HORTICULTURAL FUNGICIDES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-12-03 | — | — | US | disclosed |
| EP-1103548-A1 | TRIAZOLONE DERIVATIVES, USE THEREOF, AND INTERMEDIATE THEREFOR | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 2001-05-30 | — | — | EP | disclosed |