Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1B | P28222 | 4/20 | 0.46 |
| ▸ | MAOA | P21397 | 2/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.45 |
| ▸ | WNT3A | P56704 | 2/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | IGF1R | P08069 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4440636 | 0.93 | HTR1B (0.49) | HTR1BMAOAMAOBIDO1CTNNB1 | |
| SCHEMBL1602111 | 0.82 | HTR1B (0.53) | HTR1BIDO1CTNNB1WNT3AADORA2A | |
| SCHEMBL1603347 | 0.81 | HTR1B (0.53) | HTR1BCTNNB1WNT3ACA12CA2 | |
| SCHEMBL25742668 | 0.81 | HTR1B (0.47) | HTR1BIDO1CTNNB1WNT3AFDFT1 | |
| SCHEMBL28326818 | 0.81 | HTR1B (0.47) | HTR1BIDO1CTNNB1WNT3ACA12 | |
| SCHEMBL10508698 | 0.80 | KCNA3 (0.43) | HTR1BMAOAMAOBIDO1CTNNB1 | |
| Ammonia Solution, Strong SCHEMBL9564542 | 0.79 | HTR1B (0.51) | HTR1BCTNNB1WNT3ACA12CA2 | |
| SCHEMBL7472414 | 0.79 | HTR1B (0.51) | HTR1BHTR2AADORA2ACA12CA2 | |
| SCHEMBL826348 | 0.79 | HTR1B (0.46) | HTR1BMAOAMAOBCTNNB1WNT3A | |
| SCHEMBL9564539 | 0.79 | HTR1B (0.46) | HTR1BMAOACHRM2CHRM1CHRM3 |
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-2121648-A2 | S1P RECEPTOR MODULATING COMPOUNDS AND USE THEREOF | EPIX Pharmaceuticals, Inc. (US) | 2009-11-25 | — | — | EP | disclosed |
| WO-2007109334-A2 | SIP RECEPTOR MODULATING COMPOUNDS AND USE THEREOF | EPIX DELAWARE, INC. (US) | 2007-09-27 | — | — | WO | disclosed |