Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 8/20 | 0.64 |
| ▸ | POLB | P06746 | 1/20 | 0.64 |
| ▸ | GAA | P10253 | 1/20 | 0.64 |
| ▸ | MC4R | P32245 | 1/20 | 0.62 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | CA9 | Q16790 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.50 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.50 |
| ▸ | TLR2 | O60603 | 1/20 | 0.49 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL9939730 | 1.00 | TAAR1 (0.64) | TAAR1POLBGAAMC4RNPSR1 | |
| SCHEMBL9939592 | 1.00 | TAAR1 (0.64) | TAAR1POLBGAAMC4RNPSR1 | |
| SCHEMBL28523085 | 0.84 | TAAR1 (0.73) | TAAR1POLBGAAMC4RNPSR1 | |
| SCHEMBL8354726 | 0.84 | TAAR1 (0.64) | TAAR1POLBGAAMC4RNPSR1 | |
| SCHEMBL13445001 | 0.84 | TAAR1 (0.65) | TAAR1POLBGAAMC4RNPSR1 | |
| SCHEMBL22178742 | 0.82 | MC4R (0.88) | TAAR1POLBGAAMC4RNPSR1 | |
| Hydrochloric Acid SCHEMBL22160650 | 0.81 | MC4R (0.86) | TAAR1POLBGAAMC4RNPSR1 | |
| SCHEMBL22160748 | 0.78 | TAAR1 (0.61) | TAAR1POLBGAAMC4RNPSR1 | |
| SCHEMBL23417495 | 0.78 | CYP2C19 (0.68) | TAAR1POLBGAAKMT2AALDH1A1 | |
| SCHEMBL22178840 | 0.78 | MC4R (0.75) | TAAR1POLBGAAMC4RKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2651899-A2 | SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF | F.HOFFMANN-LA ROCHE AG (CH) | 2013-10-23 | — | — | EP | disclosed |
| WO-2012080284-A2 | SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2012-06-21 | — | — | WO | disclosed |