Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 7/20 | 0.49 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.49 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.49 |
| ▸ | BCHE | P06276 | 3/20 | 0.49 |
| ▸ | ACHE | P22303 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL20988035 | 0.83 | ATM (0.63) | ATML3MBTL1ALDH1A1GAAMAPT | |
| SCHEMBL9965797 | 0.79 | ATM (0.67) | ATML3MBTL1ALDH1A1GAAMAPT | |
| Hydrochloric Acid SCHEMBL841799 | 0.77 | ATM (0.65) | ATML3MBTL1ALDH1A1GAAMAPT | |
| SCHEMBL8593543 | 0.77 | ATM (0.59) | ATML3MBTL1ALDH1A1GAAMAPT | |
| SCHEMBL9416002 | 0.76 | ATM (0.63) | ATML3MBTL1ALDH1A1GAAMAPT | |
| SCHEMBL11792666 | 0.75 | SIGMAR1 (0.48) | L3MBTL1MAPTMEN1KMT2AKDM4E | |
| SCHEMBL6313952 | 0.75 | L3MBTL1 (0.54) | ATML3MBTL1ALDH1A1GAAMAPT | |
| SCHEMBL4901405 | 0.75 | L3MBTL1 (0.61) | ATML3MBTL1ALDH1A1GAAMAPT | |
| SCHEMBL5695121 | 0.74 | ALDH1A1 (0.79) | ALDH1A1GAAMAPTTSHRMEN1 | |
| SCHEMBL13995684 | 0.73 | ATM (0.59) | ATML3MBTL1ALDH1A1GAAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| JP-2614408-B2 | — | — | 1997-05-28 | — | — | JP | claimed |
| EP-0613458-A1 | ACYCLIC ETHYLENEDIAMINE DERIVATIVES AS SUBSTANCE P RECEPTOR ANTAGONISTS | PFIZER INC. (US) | 1994-09-07 | — | — | EP | claimed |
| WO-1993010073-A1 | ACYCLIC ETHYLENEDIAMINE DERIVATIVES AS SUBSTANCE P RECEPTOR ANTAGONISTS | PFIZER INC. (US) | 1993-05-27 | — | — | WO | claimed |