Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 2/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.55 |
| ▸ | RECQL | P46063 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | PLAU | P00749 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30405474 | 0.87 | ALDH1A1 (0.58) | ALDH1A1TDP1NPC1RAB9ARECQL | |
| SCHEMBL9615027 | 0.84 | ALDH1A1 (0.55) | ALDH1A1TDP1NPC1RAB9ARECQL | |
| SCHEMBL211181 | 0.83 | ALDH1A1 (0.58) | ALDH1A1TDP1NPC1RAB9ARECQL | |
| SCHEMBL430044 | 0.81 | ALDH1A1 (0.60) | ALDH1A1TDP1NPC1RAB9ARECQL | |
| SCHEMBL57736 | 0.81 | ALDH1A1 (0.60) | ALDH1A1TDP1NPC1RAB9ARECQL | |
| SCHEMBL29911025 | 0.81 | ALDH1A1 (0.60) | ALDH1A1TDP1NPC1RAB9ARECQL | |
| SCHEMBL31572517 | 0.81 | ALDH1A1 (0.60) | ALDH1A1TDP1NPC1RAB9ARECQL | |
| SCHEMBL28793663 | 0.81 | ALDH1A1 (0.60) | ALDH1A1TDP1NPC1RAB9ARECQL | |
| SCHEMBL30411937 | 0.80 | ALDH1A1 (0.50) | ALDH1A1TDP1NPC1RAB9ARECQL | |
| SCHEMBL57738 | 0.79 | ALDH1A1 (0.58) | ALDH1A1TDP1NPC1RAB9ARECQL |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112961087-A | Preparation process of high-yield phenyl isothiocyanate derivative | 刘科技 | 2021-06-15 | — | — | CN | disclosed |
| CN-112939833-A | High-yield production process of phenyl isothiocyanate derivative | 刘科技 | 2021-06-11 | — | — | CN | disclosed |
| CN-110845379-A | Preparation method of phenyl isothiocyanate derivative | 刘科技 | 2020-02-28 | — | — | CN | disclosed |
| EP-2252310-A1 | HETEROCYCLIC PEPTIDE KETOAMIDES | Georgia Tech Research Corporation (US) | 2010-11-24 | — | — | EP | disclosed |
| WO-2009099416-A1 | HETEROCYCLIC PEPTIDE KETOAMIDES | GEORGIA TECH RESEARCH CORPORATION (US) | 2009-08-13 | — | — | WO | disclosed |
| EP-0564561-A4 | PEPTIDES KETOAMIDES, KETOACIDS, AND KETOESTERS | GEORGIA TECH RES INST (US) | 1994-08-10 | — | — | EP | disclosed |
| EP-0564561-A1 | PEPTIDES KETOAMIDES, KETOACIDS, AND KETOESTERS | GEORGIA TECH RESEARCH CORPORATION (US) | 1993-10-13 | — | — | EP | disclosed |