Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR2 | O43614 | 4/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.30 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.30 |
| ▸ | ELANE | P08246 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7710548 | 0.82 | HCRTR2 (0.41) | HCRTR2 | |
| SCHEMBL7703480 | 0.82 | HCRTR2 (0.41) | HCRTR2 | |
| SCHEMBL7711185 | 0.79 | CCR2 (0.37) | MEN1POLBKMT2AELANE | |
| SCHEMBL7713005 | 0.79 | ELANE (0.38) | MEN1POLBKMT2AELANE | |
| SCHEMBL7710705 | 0.79 | ELANE (0.38) | MEN1POLBKMT2AELANE | |
| SCHEMBL7704802 | 0.79 | CCR2 (0.37) | MEN1POLBKMT2AELANE | |
| SCHEMBL17432039 | 0.76 | — | — | |
| SCHEMBL7710964 | 0.76 | KDM4E (0.35) | MAPTSMN1; SMN2ALDH1A1KMT2AKDM4E | |
| SCHEMBL2559052 | 0.75 | KDM4E (0.53) | HCRTR2KDM4ECYP2C19HDAC4L3MBTL1 | |
| SCHEMBL7707988 | 0.75 | CYP11B2 (0.50) | SMN1; SMN2MEN1ALDH1A1KMT2AKDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011131596-A1 | HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-10-27 | — | — | WO | disclosed |