Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA4 | P22748 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.37 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.36 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13824929 | 0.86 | TAAR1 (0.46) | TAAR1HTR2APOLBCTDSP1IDO1 | |
| SCHEMBL24667496 | 0.76 | GFER (0.59) | CA1CA2CA9CA12 | |
| SCHEMBL15813137 | 0.76 | ESR1 (0.59) | TAAR1CA1CA2 | |
| SCHEMBL12222200 | 0.76 | CYP1A2 (0.50) | TAAR1CA1CA2CA9CYP2A6 | |
| SCHEMBL626076 | 0.76 | TAAR1 (0.68) | TAAR1HTR2APOLBCTDSP1CYP2A6 | |
| SCHEMBL1844610 | 0.76 | TAAR1 (0.45) | TAAR1HTR2APOLBCTDSP1CA1 | |
| SCHEMBL944031 | 0.75 | HIF1A (0.52) | TAAR1HTR2ACYP2A6FFAR1 | |
| SCHEMBL22610186 | 0.73 | TAAR1 (0.42) | TAAR1HTR2APOLBCTDSP1CA1 | |
| SCHEMBL1046235 | 0.72 | TAAR1 (0.56) | TAAR1HTR2APOLBCTDSP1CA1 | |
| SCHEMBL13063103 | 0.71 | TAAR1 (0.55) | TAAR1CA1CA2CA9IDO1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016046530-A1 | NOVEL COMPOUNDS | MISSION THERAPEUTICS LTD (GB) | 2016-03-31 | — | — | WO | disclosed |
| US-8557726-B2 | Chiral heterogeneous catalyst for assymmetric nitroaldol reaction | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2013-10-15 | — | — | US | disclosed |