Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.42 |
| ▸ | MME | P08473 | 4/20 | 0.40 |
| ▸ | ACACB | O00763 | 1/20 | 0.39 |
| ▸ | PYCR1 | P32322 | 2/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11200328 | 0.81 | TP53 (0.61) | TP53TSHRSIGMAR1MMEACACB | |
| SCHEMBL7361080 | 0.77 | SIGMAR1 (0.54) | SIGMAR1TAAR1EPHX1HTR2AMEN1 | |
| SCHEMBL1437577 | 0.77 | CHRM1 (0.47) | TSHRSIGMAR1MMEEPHX1HTR2A | |
| SCHEMBL11071502 | 0.75 | CHRM1 (0.46) | TSHRSIGMAR1MMEACACBEPHX1 | |
| Ammonia Solution, Strong SCHEMBL27822658 | 0.75 | CHRM1 (0.46) | TSHRSIGMAR1MMEACACBEPHX1 | |
| SCHEMBL11451578 | 0.75 | SIGMAR1 (0.43) | SIGMAR1TAAR1MMEACACBPYCR1 | |
| SCHEMBL28532405 | 0.73 | SIGMAR1 (0.42) | SIGMAR1TAAR1MMEACACBPYCR1 | |
| SCHEMBL8734135 | 0.73 | PYCR1 (0.44) | SIGMAR1TAAR1MMEACACBPYCR1 | |
| SCHEMBL8030764 | 0.73 | ACACB (0.45) | SIGMAR1TAAR1MMEACACBPYCR1 | |
| SCHEMBL164716 | 0.73 | TAAR1 (0.61) | SIGMAR1TAAR1 |
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-2015054120-A1 | RUTHENIUM-CATALYZED SYNTHESIS OF BIARYL COMPOUNDS IN WATER | CHICAGO DISCOVERY SOLUTIONS, LLC (US) | 2015-04-16 | — | — | WO | disclosed |
| US-5420138-A | Antivasoconstriction compounds and cardiovascular disorders | ROUSSEL-UCLAF (FR) | 1995-05-30 | — | — | US | disclosed |