Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CFTR | P13569 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 5/20 | 0.41 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30131210 | 1.00 | KMT2A (0.47) | KMT2AMEN1HTTPOLBCFTR | |
| Hydrochloric Acid SCHEMBL30562858 | 0.98 | KMT2A (0.46) | KMT2AMEN1HTTPOLBCFTR | |
| Carbamic Acid SCHEMBL10474895 | 0.88 | ALDH1A1 (0.46) | KMT2APOLBNPC1RAB9AALDH1A1 | |
| SCHEMBL7967371 | 0.85 | CCRL2 (0.43) | KMT2AMEN1HTTPOLBCFTR | |
| SCHEMBL22999404 | 0.85 | NPC1 (0.51) | NPC1RAB9AKDM4EDRD4HCRTR2 | |
| SCHEMBL31250321 | 0.85 | KMT2A (0.43) | KMT2AMEN1HTTPOLBNPC1 | |
| Hydrochloric Acid SCHEMBL7971160 | 0.84 | CCRL2 (0.43) | KMT2AMEN1HTTPOLBCFTR | |
| SCHEMBL16803142 | 0.83 | DRD4 (0.44) | NPC1RAB9AALDH1A1DRD4HCRTR2 | |
| SCHEMBL2549348 | 0.83 | RAB9A (0.46) | NPC1RAB9AALDH1A1KDM4EDRD4 | |
| SCHEMBL2549343 | 0.83 | RAB9A (0.46) | NPC1RAB9AALDH1A1KDM4EDRD4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2560975-B1 | HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2015-06-17 | — | — | EP | disclosed |