Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 20/20 | 1.00 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.75 |
| ▸ | MEN1 | O00255 | 1/20 | 0.75 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.75 |
| ▸ | LMNA | P02545 | 1/20 | 0.75 |
| ▸ | TP53 | P04637 | 1/20 | 0.75 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.75 |
| ▸ | POLB | P06746 | 1/20 | 0.75 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.75 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.75 |
| ▸ | MAPT | P10636 | 1/20 | 0.75 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.75 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.75 |
| ▸ | APEX1 | P27695 | 1/20 | 0.75 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.75 |
| ▸ | THPO | P40225 | 1/20 | 0.75 |
| ▸ | BLM | P54132 | 1/20 | 0.75 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.75 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.75 |
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 | |
|---|---|---|---|---|
| SCHEMBL9257911 | 0.91 | TACR1 (1.00) | TACR1KDM4EMEN1ALDH1A1LMNA | |
| SCHEMBL9266038 | 0.91 | TACR1 (0.83) | TACR1KDM4EMEN1ALDH1A1LMNA | |
| SCHEMBL17131465 | 0.91 | TACR1 (0.90) | TACR1KDM4EMEN1ALDH1A1LMNA | |
| SCHEMBL9262302 | 0.90 | TACR1 (1.00) | TACR1KDM4EMEN1ALDH1A1LMNA | |
| SCHEMBL9266278 | 0.89 | TACR1 (0.80) | TACR1KDM4EMEN1ALDH1A1LMNA | |
| SCHEMBL30625884 | 0.89 | TACR1 (0.80) | TACR1KDM4EMEN1ALDH1A1LMNA | |
| SCHEMBL9261932 | 0.89 | TACR1 (1.00) | TACR1 | |
| SCHEMBL9262070 | 0.87 | TACR1 (1.00) | TACR1KDM4EMEN1ALDH1A1LMNA | |
| L-732138 SCHEMBL9272011 | 0.86 | TACR1 (1.00) | TACR1KDM4EMEN1ALDH1A1LMNA | |
| L-732138 SCHEMBL29374396 | 0.86 | TACR1 (1.00) | TACR1KDM4EMEN1ALDH1A1LMNA |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1999007413-A1 | SUBSTANCE P INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN | ALGOS PHARMACEUTICAL CORPORATION (US) | 1999-02-18 | — | — | WO | claimed |
| US-5472978-A | Tachykinin antagonists for treating pain, migraine and antiinflammatory agents | MERCK SHARP & DOHME LTD. (GB) | 1995-12-05 | — | — | US | claimed |
| WO-1993001169-A2 | AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY | MERCK SHARP & DOHME LIMITED (GB) | 1993-01-21 | — | — | WO | claimed |
| WO-1999007413-A1 | SUBSTANCE P INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN | ALGOS PHARMACEUTICAL CORPORATION (US) | 1999-02-18 | — | — | WO | disclosed |
| US-5472978-A | Tachykinin antagonists for treating pain, migraine and antiinflammatory agents | MERCK SHARP & DOHME LTD. (GB) | 1995-12-05 | — | — | US | disclosed |
| EP-0593559-A1 | AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY | MERCK SHARP & DOHME LTD. (GB) | 1994-04-27 | — | — | EP | disclosed |
| WO-1993001169-A2 | AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY | MERCK SHARP & DOHME LIMITED (GB) | 1993-01-21 | — | — | WO | disclosed |