Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 6/20 | 0.34 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9999441 | 0.76 | LMNA (0.34) | KMT2ALMNAALDH1A1HPGDCYP1A2 | |
| SCHEMBL29936639 | 0.75 | SMN1; SMN2 (0.35) | RAB9AKDM4EMEN1KMT2ALMNA | |
| SCHEMBL25871834 | 0.75 | SMN1; SMN2 (0.35) | RAB9AKDM4EMEN1KMT2ALMNA | |
| SCHEMBL9956479 | 0.73 | SLC6A2 (0.48) | MEN1KMT2AHPGDTDP1 | |
| SCHEMBL29813282 | 0.72 | MEN1 (0.31) | MEN1KMT2A | |
| SCHEMBL24809655 | 0.72 | TSHR (0.32) | MEN1KMT2ATSHR | |
| SCHEMBL23182669 | 0.71 | TSHR (0.31) | MEN1KMT2ATSHR | |
| SCHEMBL15863621 | 0.69 | CES2 (0.49) | RAB9AKMT2AALDH1A1GAATDP1 | |
| SCHEMBL9954465 | 0.69 | SLC6A2 (0.51) | KDM4EMEN1KMT2AALDH1A1GAA | |
| SCHEMBL12900898 | 0.68 | ALDH1A1 (0.53) | RAB9AKDM4EMEN1KMT2ALMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021250468-A2 | SYNTHETIC METHODS FOR PREPARATION OF 4-(2-CHLORO-4-METHOXY-5- METHYLPHENYL)-V-[(LS)-2-CYCLOPROPYL-L-(3-FLUORO-4-METHYLPHENYL)ETHYL]-5-METHYL-V-PROP-2-YNYL-L,3-THIAZOL-2-AMINE | NEUROCRINE BIOSCIENCES, INC. (US) | 2021-12-16 | — | — | WO | disclosed |
| WO-2021111179-A1 | SYNTHETIC METHOD FOR PREPARATION OF 4-(2-CHLORO-4-METHOXY-5-METHYLPHENYL)-N-[(1S)-2-CYCLOPROPYL-1-(3-FLUORO-4-METHYLPHENYL)ETHYL]-5-METHYL-N-PROP-2-YNYL-1,3-THIAZOL-2-AMINE | NEUROCRINE BIOSCIENCES, INC. (US) | 2021-06-10 | — | — | WO | disclosed |