Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Phosphine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SNCA | P37840 | 2/20 | 0.40 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27508503 | 0.98 | SNCA (0.41) | SNCATRAP1TP53GLAHPGD | |
| SCHEMBL27849168 | 0.91 | SNCA (0.38) | SNCATRAP1TP53GLAHPGD | |
| Bromide SCHEMBL11042487 | 0.83 | ABCB1 (0.42) | SNCATRAP1CYP2D6CYP2C19ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7874564 | 0.83 | HTR1A (0.40) | SNCAGLAALDH1A1MEN1KMT2A | |
| Bromide SCHEMBL7872610 | 0.79 | SNCA (0.41) | SNCAGLAALDH1A1MEN1KMT2A | |
| Water SCHEMBL4390663 | 0.79 | HTR1A (0.40) | SNCAGLAALDH1A1MEN1KMT2A | |
| SCHEMBL7865387 | 0.78 | HTR1A (0.39) | SNCAGLAALDH1A1MEN1KMT2A | |
| Bromide SCHEMBL11751147 | 0.78 | ALDH1A1 (0.42) | TRAP1TP53CA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL8798210 | 0.78 | KDM1A (0.41) | TRAP1CYP2C19MEN1KMT2A | |
| SCHEMBL7873044 | 0.77 | HTR1A (0.38) | SNCAGLAALDH1A1MEN1KMT2A |
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-109180615-A | Intermediates for the preparation of analogs of halichondrin B | 卫材R&D管理有限公司 | 2019-01-11 | — | — | CN | disclosed |
| CN-108997267-A | Intermediates for the preparation of analogs of halichondrin B | 卫材R&D管理有限公司 | 2018-12-14 | — | — | CN | disclosed |
| CN-101899026-B | Intermediates for the preparation of analogs of halichondrin B | 卫材R&D管理有限公司 | 2016-08-03 | — | — | CN | disclosed |