Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | PKLR | P30613 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10423408 | 0.99 | GRIN1 (0.38) | GRIN1GRIN2AGRIN2BSLC6A4KMT2A | |
| SCHEMBL10423359 | 0.87 | OPRM1 (0.44) | SLC6A4KMT2ASLC6A3MMP13 | |
| Hydrochloric Acid SCHEMBL10423965 | 0.85 | OPRM1 (0.46) | SLC6A4KMT2ASLC6A3MMP13 | |
| Hydrochloric Acid SCHEMBL10424433 | 0.84 | OPRM1 (0.47) | KMT2ASLC6A3 | |
| SCHEMBL10423994 | 0.84 | OPRM1 (0.46) | SLC6A4KMT2A | |
| SCHEMBL10423987 | 0.84 | OPRM1 (0.44) | SLC6A4 | |
| SCHEMBL10423409 | 0.82 | PDE2A (0.42) | SLC6A4 | |
| Oxalic Acid SCHEMBL10423990 | 0.78 | OPRM1 (0.45) | SLC6A4KMT2ACHRM5CHRM3CHRM1 | |
| Fumaric Acid SCHEMBL10458883 | 0.75 | OPRM1 (0.43) | KMT2A | |
| Fumaric Acid SCHEMBL10423357 | 0.75 | OPRM1 (0.43) | KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4954511-A | ALLEVIATING PAIN, TREATING DEPRESSION, CONVULSIONS AND HYPERTENSION | HOECHST-ROUSSELL PHARMACEUTICALS INC. (US) | 1990-09-04 | — | — | US | claimed |
| US-4954511-A | ALLEVIATING PAIN, TREATING DEPRESSION, CONVULSIONS AND HYPERTENSION | HOECHST-ROUSSELL PHARMACEUTICALS INC. (US) | 1990-09-04 | — | — | US | disclosed |
| US-4914204-A | ANALGESICS, ANTIDEPRESSANTS, ANTICONVULSANTS, HYPOTENSIVE AGENTS | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1990-04-03 | — | — | US | disclosed |
| EP-0333027-A1 | 4-Pentafluorophenoxypiperidines, a process for their preparation and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1989-09-20 | — | — | EP | disclosed |