Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 3/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | FAAH | O00519 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | MTOR | P42345 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL9778465 | 0.93 | CYP3A4 (0.46) | HTR1AKCNH2FAAHCYP3A4CYP2D6 | |
| Fumaric Acid SCHEMBL9778452 | 0.93 | CYP3A4 (0.46) | HTR1AKCNH2FAAHCYP3A4CYP2D6 | |
| SCHEMBL10414807 | 0.85 | CNR1 (0.46) | HTR1AFAAHCYP3A4CYP2D6TSHR | |
| SCHEMBL9778408 | 0.83 | FAAH (0.47) | HTR1AKCNH2FAAHCYP3A4CYP2D6 | |
| SCHEMBL9778450 | 0.83 | DRD2 (0.49) | HTR1AKCNH2FAAHCYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL9778507 | 0.82 | MEN1 (0.48) | HTR1AKCNH2FAAHCYP3A4CYP2D6 | |
| SCHEMBL9778437 | 0.79 | FAAH (0.44) | HTR1AFAAHCYP3A4CYP2D6TSHR | |
| Fumaric Acid SCHEMBL9778424 | 0.77 | CYP3A4 (0.46) | HTR1AKCNH2FAAHCYP3A4CYP2D6 | |
| Fumaric Acid SCHEMBL9778432 | 0.77 | CYP3A4 (0.46) | HTR1AKCNH2FAAHCYP3A4CYP2D6 | |
| SCHEMBL9778418 | 0.76 | LRRK2 (0.61) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4954503-A | ANALGESIC, ANTIPSYCHOTIC AGENTS | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1990-09-04 | — | — | US | claimed |