Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 6/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL8015568 | 0.79 | ACHE (0.47) | ACHETDP1ALDH1A1CYP2A6CA2 | |
| SCHEMBL15661400 | 0.73 | ACHE (0.57) | ACHETDP1ALDH1A1CA2CA1 | |
| SCHEMBL34181 | 0.73 | ACHE (0.57) | ACHETDP1ALDH1A1CA2CA1 | |
| SCHEMBL5590712 | 0.71 | ACHE (0.53) | ACHETDP1ALDH1A1CA2CA1 | |
| Bromide SCHEMBL7200758 | 0.71 | ACHE (0.53) | ACHETDP1ALDH1A1CA2CA1 | |
| SCHEMBL11904888 | 0.71 | ALDH1A1 (0.42) | ACHETDP1ALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL14335453 | 0.71 | ACHE (0.53) | ACHETDP1ALDH1A1CA2CA1 | |
| SCHEMBL7558573 | 0.71 | ACHE (0.53) | ACHETDP1ALDH1A1CYP2A6CA2 | |
| Bromide SCHEMBL3676874 | 0.71 | ACHE (0.53) | ACHETDP1ALDH1A1CA2CA1 | |
| SCHEMBL1400954 | 0.71 | ACHE (0.53) | ACHETDP1ALDH1A1CYP2A6CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6031066-A | POLYMERIZING ALPHA, BETA-UNSATURATED CARBOXYLIC ACID ESTER CONTAINING A TERTIARY AMINO GROUP AS A POLYMERIZABLE MONOMER IN THE PRESENCE OF A PHOSPHORUS COMPOUND | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2000-02-29 | — | — | US | disclosed |
| US-5180848-A | Synthesis of phosphinoacetic acids | PHILLIPS PETROLEUM COMPANY (US) | 1993-01-19 | — | — | US | disclosed |
| US-5157153-A | Reacting alkyl ethynyl ether or monohaloacetaldehyde acetal with alkali metal base, then with halodihydrocarbylphosphine; adding mineral acid, hydrolyzing | PHILLIPS PETROLEUM COMPANY (US) | 1992-10-20 | — | — | US | disclosed |