Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.41 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19963515 | 0.83 | CYP2D6 (0.48) | IDO1CYP3A4CYP2D6LMNAMAPT | |
| SCHEMBL11751773 | 0.83 | CYP2D6 (0.48) | IDO1CYP3A4CYP2D6LMNAMAPT | |
| SCHEMBL6747065 | 0.82 | CYP1A2 (0.43) | IDO1CYP1A2MAPTKDM4ETAAR1 | |
| SCHEMBL6891746 | 0.81 | RIPK1 (0.50) | IDO1CYP3A4CYP2D6LMNAMAPT | |
| SCHEMBL11818840 | 0.81 | LMNA (0.63) | IDO1CYP3A4CYP2D6LMNAMAPT | |
| SCHEMBL16741453 | 0.80 | LOXL2 (0.45) | LMNALOXL2HTT | |
| SCHEMBL29193469 | 0.80 | NPC1 (0.50) | IDO1CYP3A4CYP2D6CYP1A2PRMT1 | |
| SCHEMBL11747108 | 0.79 | CYP2D6 (0.45) | IDO1CYP3A4CYP2D6LMNAMAPT | |
| SCHEMBL6098836 | 0.79 | CYP3A4 (0.46) | IDO1CYP3A4CYP2D6LMNAMAPT | |
| SCHEMBL20163215 | 0.79 | RIPK1 (0.49) | IDO1CYP3A4CYP2D6LMNAMAPT |
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-106928017-B | Method for preparing 1,1,1,4,4, 4-hexafluoro-2-butene | 浙江省化工研究院有限公司 | 2020-12-08 | — | — | CN | claimed |
| CN-106925354-B | Liquid phase catalyst for preparing halogenated olefin | 浙江省化工研究院有限公司 | 2020-04-17 | — | — | CN | claimed |
| EP-0293925-A2 | Compound active in cardiovascular therapy | SIMES, SOCIETA ITALIANA MEDICINALI E SINTETICI, S.P.A. (IT) | 1988-12-07 | — | — | EP | disclosed |