Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 15/20 | 0.77 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.57 |
| ▸ | APEX1 | P27695 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | THPO | P40225 | 1/20 | 0.57 |
| ▸ | BLM | P54132 | 1/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.57 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9314782 | 0.99 | TACR1 (0.76) | TACR1MEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL9001386 | 0.98 | TACR1 (0.75) | TACR1MEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL9362774 | 0.96 | TACR1 (0.79) | TACR1MEN1KMT2AKDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL9358600 | 0.95 | TACR1 (0.77) | TACR1MEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL8974491 | 0.92 | TACR1 (0.73) | TACR1MEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL9358926 | 0.91 | TACR1 (0.80) | TACR1MEN1KMT2AKDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL9315503 | 0.90 | TACR1 (0.79) | TACR1MEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL8974664 | 0.90 | TACR1 (0.71) | TACR1MEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL8974818 | 0.90 | TACR1 (0.75) | TACR1MEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL8916848 | 0.90 | TACR1 (0.77) | TACR1MEN1KMT2AKDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5514718-A | AMINO COMPOUNDS WITH ALKOXY, HYDROXY, KETONE OR OXIME GROUPS FOR PSYCHOLOGICAL DISORDERS OR TACHYKININ ANTAGONIST | MERCK, SHARP & DOHME LIMITED (GB) | 1996-05-07 | — | — | US | disclosed |
| EP-0629196-A1 | HETEROCYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | MERCK SHARP & DOHME LTD. (GB) | 1994-12-21 | — | — | EP | disclosed |
| WO-1993018023-A1 | HETEROCYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | MERCK SHARP & DOHME LIMITED (GB) | 1993-09-16 | — | — | WO | disclosed |