Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 13/20 | 0.52 |
| ▸ | CYP1A1 | P04798 | 11/20 | 0.52 |
| ▸ | CYP1B1 | Q16678 | 11/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.46 |
| ▸ | HMGCR | P04035 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.43 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.43 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28472704 | 1.00 | CYP1A2 (0.52) | CYP1A2CYP1A1CYP1B1CYP3A4ALDH1A1 | |
| SCHEMBL13271090 | 0.84 | CYP3A4 (0.50) | CYP1A2CYP1A1CYP1B1CYP3A4ALDH1A1 | |
| SCHEMBL9281062 | 0.84 | CYP3A4 (0.50) | CYP1A2CYP1A1CYP1B1CYP3A4ALDH1A1 | |
| SCHEMBL23620222 | 0.82 | CYP1A1 (0.50) | CYP1A2CYP1A1CYP1B1CYP3A4ALDH1A1 | |
| SCHEMBL17821560 | 0.82 | CYP1A2 (0.50) | CYP1A2CYP1A1CYP1B1CYP3A4ALDH1A1 | |
| SCHEMBL17821561 | 0.82 | CYP1A2 (0.50) | CYP1A2CYP1A1CYP1B1CYP3A4ALDH1A1 | |
| SCHEMBL12090696 | 0.80 | CYP1A2 (0.81) | CYP1A2CYP1A1CYP1B1CYP3A4ALDH1A1 | |
| SCHEMBL3172829 | 0.80 | CYP1A2 (0.81) | CYP1A2CYP1A1CYP1B1CYP3A4ALDH1A1 | |
| SCHEMBL28465119 | 0.80 | CYP1A2 (0.52) | CYP1A2CYP1A1CYP1B1CYP3A4ALDH1A1 | |
| SCHEMBL28465117 | 0.80 | CYP1A2 (0.52) | CYP1A2CYP1A1CYP1B1CYP3A4ALDH1A1 |
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-108383694-B | Preparation method of cyclobutane derivative | 华中科技大学 | 2020-09-18 | — | — | CN | disclosed |
| US-20180011405-A1 | RESIST UNDERLAYER FILM COMPOSITION, PATTERNING PROCESS, METHOD FOR FORMING RESIST UNDERLAYER FILM, AND COMPOUND FOR RESIST UNDERLAYER FILM COMPOSITION | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2018-01-11 | — | — | US | disclosed |