Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 5/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | MMEL1 | Q495T6 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.38 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.38 |
| ▸ | SLC1A1 | P43005 | 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 | |
|---|---|---|---|---|
| SCHEMBL16679849 | 0.83 | SMN1; SMN2 (0.44) | FAAHSMN1; SMN2NPC1HPGDRAB9A | |
| SCHEMBL3995352 | 0.82 | APP (0.41) | MMP2MMP3TSHRSLC1A3SLC1A2 | |
| SCHEMBL1721285 | 0.80 | FAAH (0.47) | FAAHSMN1; SMN2NPC1HPGDRAB9A | |
| SCHEMBL539214 | 0.80 | HTT (0.46) | FAAHSMN1; SMN2NPC1HPGDRAB9A | |
| SCHEMBL6670889 | 0.80 | SLC1A3 (0.43) | TSHRSLC1A3SLC1A2SLC1A1POLB | |
| SCHEMBL5691961 | 0.80 | MMEL1 (0.47) | MMEL1MMP2MMP3 | |
| SCHEMBL4096169 | 0.79 | POLB (0.51) | FAAHSMN1; SMN2NPC1HPGDRAB9A | |
| Hydrochloric Acid SCHEMBL7172712 | 0.79 | SLC1A3 (0.43) | TSHRSLC1A3SLC1A2SLC1A1POLB | |
| SCHEMBL4385673 | 0.79 | SMN1; SMN2 (0.51) | FAAHSMN1; SMN2NPC1HPGDRAB9A | |
| SCHEMBL6100298 | 0.77 | DCAF1 (0.47) | MAPK1DCAF1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1660439-A2 | ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE | Transtech Pharma, Inc. (US) | 2006-05-31 | — | — | EP | disclosed |
| WO-2005014533-A2 | ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE | TRANSTECH PHARMA, INC. (US) | 2005-02-17 | — | — | WO | disclosed |