Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 4/20 | 0.33 |
| ▸ | RAB9A | P51151 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14844279 | 0.73 | SMN1; SMN2 (0.36) | LMNASMN1; SMN2HPGDPTPN1HDAC3 | |
| SCHEMBL22496063 | 0.71 | ALDH1A1 (0.40) | LMNASMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL2464249 | 0.69 | HTT (0.50) | LMNASMN1; SMN2HPGDHDAC3HDAC1 | |
| Hydrochloric Acid SCHEMBL11830306 | 0.68 | HTT (0.49) | LMNASMN1; SMN2HPGDHDAC3HDAC1 | |
| SCHEMBL20268246 | 0.67 | HTT (0.51) | LMNASMN1; SMN2HPGDHDAC3HDAC1 | |
| SCHEMBL6425135 | 0.67 | CNR2 (0.52) | SMN1; SMN2HPGDNPSR1NPC1RAB9A | |
| SCHEMBL2592597 | 0.66 | ALDH1A1 (0.44) | SMN1; SMN2HDAC3HDAC1HDAC2NPSR1 | |
| SCHEMBL19265536 | 0.65 | CNR2 (0.50) | SMN1; SMN2HPGDNPC1RAB9AALDH1A1 | |
| SCHEMBL2259800 | 0.64 | HTT (0.51) | LMNASMN1; SMN2HPGDNPSR1NPC1 | |
| SCHEMBL11569306 | 0.61 | TRPM8 (0.36) | NPC1RAB9AALDH1A1L3MBTL1 |
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-2763997-A1 | CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-08-13 | — | — | EP | disclosed |
| WO-2013050334-A1 | CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-04-11 | — | — | WO | disclosed |