Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16105872 | 0.82 | TP53 (0.59) | TP53CASP3SENP7ALOX5PTGS1 | |
| SCHEMBL8701374 | 0.82 | TP53 (0.59) | TP53CASP3SENP7ALOX5PTGS1 | |
| SCHEMBL16105660 | 0.82 | TP53 (0.59) | TP53CASP3SENP7ALOX5PTGS1 | |
| SCHEMBL6547298 | 0.82 | TP53 (0.59) | TP53CASP3SENP7ALOX5PTGS1 | |
| Styrene SCHEMBL9795236 | 0.78 | ALDH1A1 (0.61) | TP53CASP3SENP7ALOX5PTGS1 | |
| SCHEMBL8948448 | 0.78 | MAOB (0.61) | TP53CASP3SENP7ALOX5PTGS1 | |
| Ethylbenzene SCHEMBL27405402 | 0.75 | TP53 (0.93) | TP53ALDH1A1CYP2A6CYP1A2SMN1; SMN2 | |
| Benzene SCHEMBL27406821 | 0.75 | TP53 (0.80) | TP53ALDH1A1CYP2A6CYP1A2LMNA | |
| Ethylbenzene SCHEMBL1332452 | 0.72 | — | — | |
| Ethylbenzene SCHEMBL7458207 | 0.72 | TP53 (1.00) | TP53ALDH1A1CYP2A6CYP1A2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999034790-A1 | GLYCINE TRANSPORT INHIBITORS | ALLELIX NEUROSCIENCE, INC. (US) | 1999-07-15 | — | — | WO | claimed |