Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11308706 | 0.89 | ALDH1A1 (0.54) | ALDH1A1CA1CA2BCHEACHE | |
| SCHEMBL11246618 | 0.86 | ALDH1A1 (0.61) | ALDH1A1CA1CA2BCHEACHE | |
| SCHEMBL125291 | 0.85 | ALDH1A1 (0.54) | ALDH1A1SRCHTT | |
| Triphenyl Phosphate SCHEMBL5993809 | 0.83 | ALDH1A1 (0.58) | ALDH1A1SRCCYP3A4TSHRHTT | |
| SCHEMBL7772922 | 0.81 | KMT2A (0.46) | CA1CA2BCHEACHE | |
| SCHEMBL7768583 | 0.79 | CYP3A4 (0.53) | CYP3A4 | |
| SCHEMBL11025950 | 0.78 | PKM (0.44) | SRC | |
| SCHEMBL7772917 | 0.77 | MEN1 (0.54) | CA1CA2BCHEACHETSHR | |
| SCHEMBL78015 | 0.76 | SRC (0.54) | ALDH1A1SRCCYP3A4TSHRCYP1A2 | |
| SCHEMBL25513746 | 0.76 | SRC (0.54) | ALDH1A1SRCCYP3A4TSHRCYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE30887-E | HALOGENATED PHOSPHATE ESTERS | OLIN CORPORATION (US) | 1982-03-23 | — | — | US | disclosed |