Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | USP2 | O75604 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | AURKA | O14965 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | HTR3A | P46098 | 1/20 | 0.43 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.43 |
| ▸ | MELK | Q14680 | 3/20 | 0.43 |
| ▸ | SMO | Q99835 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | WNT1 | P04628 | 1/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.42 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.42 |
| ▸ | WDR5 | P61964 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29589458 | 0.80 | CRBN (0.43) | KMT2ARAB9ASMONPC1 | |
| SCHEMBL10322494 | 0.77 | KMT2A (0.47) | KMT2AKDM4EMEN1USP2ALDH1A1 | |
| SCHEMBL14558281 | 0.76 | WNT1 (0.49) | KMT2AKDM4EMEN1USP2ALDH1A1 | |
| SCHEMBL13686280 | 0.75 | KMT2A (0.47) | KMT2AKDM4EMEN1USP2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL5343724 | 0.75 | WNT1 (0.48) | KMT2AKDM4EMEN1USP2ALDH1A1 | |
| SCHEMBL64138 | 0.74 | SMO (0.47) | KMT2AKDM4EMEN1USP2ALDH1A1 | |
| SCHEMBL10322813 | 0.74 | HTR6 (0.66) | KMT2AKDM4EMEN1USP2ALDH1A1 | |
| SCHEMBL25262292 | 0.73 | NPC1 (0.45) | KMT2AKDM4ERAB9ASMONPC1 | |
| SCHEMBL29483816 | 0.73 | NPC1 (0.45) | KMT2AKDM4ERAB9ASMONPC1 | |
| SCHEMBL27440956 | 0.73 | HRH4 (0.52) | KMT2AKDM4EMEN1USP2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1856052-B1 | NK1 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2009-09-02 | — | — | EP | disclosed |
| US-7176205-B2 | Bi-pyridinyl derivatives as NK-1 antagonists | HOFFMANN-LA ROCHE INC. (US) | 2007-02-13 | — | — | US | disclosed |
| US-7176205-B2 | Bi-pyridinyl derivatives as NK-1 antagonists | HOFFMANN-LA ROCHE INC. (US) | 2007-02-13 | — | — | US | disclosed |