Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 15/20 | 0.77 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.56 |
| ▸ | APEX1 | P27695 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | THPO | P40225 | 1/20 | 0.56 |
| ▸ | BLM | P54132 | 1/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL8916135 | 0.97 | TACR1 (0.76) | TACR1MEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL8915620 | 0.95 | TACR1 (0.80) | TACR1MEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL8915625 | 0.95 | TACR1 (0.80) | TACR1MEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL8917033 | 0.94 | TACR1 (0.78) | TACR1MEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL8917025 | 0.94 | TACR1 (0.78) | TACR1MEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL9001358 | 0.90 | TACR1 (0.77) | TACR1MEN1KMT2AKDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL9314782 | 0.89 | TACR1 (0.76) | TACR1MEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL9001386 | 0.88 | TACR1 (0.75) | TACR1MEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL8917016 | 0.88 | TACR1 (0.77) | TACR1MEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL9001371 | 0.87 | TACR1 (0.80) | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5674889-A | Aromatic compounds, compositions containing them and their use in therapy | MERCK, SHARP & DOHME, LTD. (GB) | 1997-10-07 | — | — | US | claimed |
| WO-1994019320-A1 | AROMATIC COMPOUNDS, COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY | MERCK SHARP & DOHME LIMITED (GB) | 1994-09-01 | — | — | WO | claimed |
| US-5674889-A | Aromatic compounds, compositions containing them and their use in therapy | MERCK, SHARP & DOHME, LTD. (GB) | 1997-10-07 | — | — | US | disclosed |
| WO-1994019320-A1 | AROMATIC COMPOUNDS, COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY | MERCK SHARP & DOHME LIMITED (GB) | 1994-09-01 | — | — | WO | disclosed |