Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 3/20 | 0.58 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.56 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.56 |
| ▸ | MRGPRX4 | Q96LA9 | 3/20 | 0.50 |
| ▸ | PDE4A | P27815 | 3/20 | 0.49 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.49 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.49 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.49 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | ERN1 | O75460 | 2/20 | 0.47 |
| ▸ | RXRA | P19793 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CTSV | O60911 | 1/20 | 0.46 |
| ▸ | CTSL | P07711 | 1/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3413422 | 0.90 | SMPD1 (0.57) | SMPD1HDAC1HDAC8HDAC6MRGPRX4 | |
| SCHEMBL13433602 | 0.83 | PDE4B (0.45) | SMPD1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL29066085 | 0.83 | MTNR1A (0.62) | SMPD1HDAC1HDAC8HDAC6NPC1 | |
| SCHEMBL26851429 | 0.83 | MTNR1A (0.55) | SMPD1HDAC1HDAC8HDAC6NPC1 | |
| SCHEMBL12746034 | 0.82 | NR4A2 (0.58) | SMPD1MRGPRX4PDE4APDE4BPDE4C | |
| SCHEMBL1929079 | 0.81 | SLC7A5 (0.57) | NPC1HPGDRAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL13433575 | 0.81 | GAA (0.52) | HDAC1HDAC8HDAC6RAB9AALDH1A1 | |
| SCHEMBL13433594 | 0.81 | FPR2 (0.45) | SMPD1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL3357160 | 0.80 | SLC7A5 (0.56) | NPC1HPGDRAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL5267987 | 0.79 | GAA (0.56) | PDE4APDE4BPDE4CPDE4DHPGD |
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-8765950-B2 | Reagents for biomolecular labeling, detection and quantification employing raman spectroscopy | PURDUE RESEARCH FOUNDATION (US) | 2014-07-01 | — | — | US | disclosed |
| US-7687664-B2 | Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2010-03-30 | — | — | US | disclosed |
| US-7687664-B2 | Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2010-03-30 | — | — | US | disclosed |