Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | REN | P00797 | 2/20 | 0.47 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | MC4R | P32245 | 1/20 | 0.39 |
| ▸ | MC5R | P33032 | 1/20 | 0.39 |
| ▸ | MC3R | P41968 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5183620 | 1.00 | REN (0.47) | RENCNR1CYP2D6CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL4847760 | 0.99 | REN (0.46) | RENCNR1CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL1021811 | 0.80 | SLC1A3 (0.56) | — | |
| SCHEMBL8054823 | 0.79 | POLB (0.55) | CNR1CYP2D6CYP2C9CYP2C19KMT2A | |
| SCHEMBL19710389 | 0.79 | POLB (0.55) | CNR1CYP2D6CYP2C9CYP2C19KMT2A | |
| SCHEMBL11884007 | 0.79 | REN (0.57) | RENKMT2AALDH1A1NPSR1TSHR | |
| Hydrochloric Acid SCHEMBL4854908 | 0.79 | SLC1A3 (0.55) | — | |
| Hydrochloric Acid SCHEMBL11100779 | 0.78 | CYP2D6 (0.63) | CNR1CYP2D6CYP2C9CYP2C19KMT2A | |
| Hydrochloric Acid SCHEMBL20569304 | 0.77 | KMT2A (0.57) | CNR1CYP2D6CYP2C9CYP2C19KMT2A | |
| Hydrochloric Acid SCHEMBL20569306 | 0.77 | KMT2A (0.57) | CNR1CYP2D6CYP2C9CYP2C19KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1797110-B1 | ANTIBACTERIAL AMIDE MACROCYCLES IV | AICURIS GMBH & CO KG (DE) | 2011-01-12 | — | — | EP | disclosed |
| EP-1797110-A1 | ANTIBACTERIAL AMIDE MACROCYCLES IV | AiCuris GmbH & Co. KG (DE) | 2007-06-20 | — | — | EP | disclosed |
| WO-2006034786-A1 | ANTIBACTERIAL AMIDE MACROCYCLES IV | AICURIS GMBH & CO.KG (DE) | 2006-04-06 | — | — | WO | disclosed |