Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 2/20 | 0.33 |
| ▸ | CTSK | P43235 | 2/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | CTSH | P09668 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12586923 | 1.00 | TAAR1 (0.41) | TAAR1MEN1KMT2AEPHX1TRPA1 | |
| SCHEMBL12770531 | 0.83 | TAAR1 (0.33) | TAAR1MEN1KMT2ATRPA1SLC6A2 | |
| SCHEMBL13156172 | 0.83 | TAAR1 (0.33) | TAAR1MEN1KMT2ATRPA1SLC6A2 | |
| SCHEMBL12586890 | 0.83 | TAAR1 (0.33) | TAAR1MEN1KMT2ATRPA1SLC6A2 | |
| SCHEMBL12772162 | 0.81 | CYP3A4 (0.33) | TAAR1MEN1KMT2A | |
| SCHEMBL16350794 | 0.81 | CYP3A4 (0.33) | TAAR1MEN1KMT2A | |
| SCHEMBL12587456 | 0.81 | CYP3A4 (0.33) | TAAR1MEN1KMT2A | |
| SCHEMBL12704099 | 0.78 | CYP3A4 (0.30) | — | |
| SCHEMBL12770526 | 0.77 | TRPA1 (0.41) | TAAR1MEN1KMT2ATRPA1SLC6A2 | |
| SCHEMBL13181848 | 0.77 | TRPA1 (0.41) | TAAR1MEN1KMT2ATRPA1SLC6A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7915306-B2 | For therapy of inflammatory or autoimmune disorders | EISAI CO., LTD. (JP) | 2011-03-29 | — | — | US | disclosed |
| US-7799827-B2 | Macrocyclic compounds useful as pharmaceuticals | EISAI CO., LTD. (JP) | 2010-09-21 | — | — | US | disclosed |