Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRD1 | P41143 | 5/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1602301 | 0.77 | CYP3A4 (0.57) | OPRD1CYP2D6CYP2C9CYP3A4NPSR1 | |
| SCHEMBL48800 | 0.75 | OPRM1 (0.48) | OPRD1CYP2D6OPRL1OPRM1SLC6A9 | |
| SCHEMBL5745379 | 0.74 | CYP2D6 (0.47) | OPRD1CYP2D6CYP2C9CYP3A4CYP2C19 | |
| Hydrochloric Acid SCHEMBL741583 | 0.73 | OPRM1 (0.47) | OPRD1CYP2D6OPRL1OPRM1SLC6A9 | |
| SCHEMBL19281773 | 0.73 | OPRM1 (0.47) | OPRD1CYP2D6OPRL1OPRM1SLC6A9 | |
| SCHEMBL72964 | 0.70 | CYP3A4 (0.49) | OPRD1CYP2D6CYP2C9CYP3A4CYP2C19 | |
| SCHEMBL1603102 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL5198335 | 0.70 | OPRM1 (0.41) | OPRD1CYP2D6OPRL1OPRM1ACHE | |
| SCHEMBL20133104 | 0.70 | OPRM1 (0.54) | OPRD1CYP2D6OPRL1OPRM1SLC6A9 | |
| SCHEMBL6011821 | 0.69 | OPRD1 (0.57) | OPRD1TSHR |
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 |