Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 16/20 | 0.57 |
| ▸ | TACR2 | P21452 | 2/20 | 0.53 |
| ▸ | CCKBR | P32239 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | APEX1 | P27695 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | THPO | P40225 | 1/20 | 0.51 |
| ▸ | BLM | P54132 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL8893006 | 0.87 | TACR1 (0.73) | TACR1KDM4EMEN1ALDH1A1LMNA | |
| SCHEMBL9387236 | 0.82 | TACR1 (0.77) | TACR1KDM4EMEN1ALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL8895691 | 0.81 | TACR1 (0.76) | TACR1KDM4EMEN1ALDH1A1LMNA | |
| SCHEMBL9394243 | 0.79 | TACR1 (0.44) | TACR1TACR2CCKBRKDM4EMEN1 | |
| SCHEMBL8896486 | 0.78 | TACR1 (0.76) | TACR1KDM4EMEN1ALDH1A1LMNA | |
| SCHEMBL8914550 | 0.78 | BRS3 (0.63) | TACR1KDM4EMEN1ALDH1A1LMNA | |
| SCHEMBL8974720 | 0.78 | TACR1 (0.67) | TACR1KDM4EMEN1ALDH1A1LMNA | |
| SCHEMBL7742453 | 0.77 | TACR1 (0.61) | TACR1TACR2 | |
| SCHEMBL9362774 | 0.77 | TACR1 (0.79) | TACR1KDM4EMEN1ALDH1A1LMNA | |
| SCHEMBL8916109 | 0.77 | TACR1 (0.55) | TACR1TACR2KDM4EMEN1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |