Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | PTPRC | P08575 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | BLM | P54132 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | APAF1 | O14727 | 1/20 | 0.43 |
| ▸ | TDP2 | O95551 | 1/20 | 0.43 |
| ▸ | NSD2 | O96028 | 1/20 | 0.43 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CTSL | P07711 | 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 | |
|---|---|---|---|---|
| SCHEMBL940110 | 0.91 | ALDH1A1 (0.38) | ALDH1A1NPC1RAB9ASMN1; SMN2CYP3A4 | |
| SCHEMBL29844491 | 0.91 | ALDH1A1 (0.38) | ALDH1A1NPC1RAB9ASMN1; SMN2CYP3A4 | |
| SCHEMBL27706296 | 0.89 | NPC1 (0.44) | ALDH1A1NPC1RAB9ASMN1; SMN2CYP3A4 | |
| SCHEMBL28271273 | 0.87 | NPC1 (0.37) | ALDH1A1NPC1RAB9ASMN1; SMN2CYP3A4 | |
| SCHEMBL224931 | 0.82 | GPR3 (0.41) | ALDH1A1TSHRTDP1LMNABLM | |
| SCHEMBL29711937 | 0.82 | GPR3 (0.41) | ALDH1A1TSHRTDP1LMNABLM | |
| SCHEMBL28243519 | 0.82 | HTR2A (0.34) | ALDH1A1POLBHTR2ACA1CA2 | |
| Methylamine SCHEMBL27789000 | 0.81 | GPR3 (0.41) | CYP3A4TP53MAPK1LMNAMEN1 | |
| SCHEMBL27818816 | 0.80 | GPR3 (0.39) | ALDH1A1TSHRMEN1POLBKMT2A | |
| Hydrochloric Acid SCHEMBL27768859 | 0.80 | GPR3 (0.39) | ALDH1A1TSHRMEN1POLBKMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104870422-A | Novel amine derivative or salt thereof | TOYAMA CHEMICAL CO LTD | 2015-08-26 | — | — | CN | disclosed |
| CN-101466692-A | Thiazol-guanidine derivatives useful as a (beta) - related pathologies | ASTRAZENECA AB (SE) | 2009-06-24 | — | — | CN | disclosed |
| US-5922840-A | GENERATING PEPTIDE BOUND BY C-TERMINAL TO SOLID SUPPORT, ADDING POLYMER MOIETY TO N-TERMINAL TO PRODUCE ADDUCT WITH INCREASED SOLUBILITY FOR SEPARATION FROM UNDESIRED PEPTIDES, CLEAVING ADDUCT FROM SUPPORT, REMOVING POLYMER | KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) | 1999-07-13 | — | — | US | disclosed |
| WO-1998003193-A1 | METHODS FOR PURIFYING SYNTHETIC PEPTIDES | KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) | 1998-01-29 | — | — | WO | disclosed |