Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 2/20 | 0.39 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | LY96 | Q9Y6Y9 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | MDM4 | O15151 | 1/20 | 0.37 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.37 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MIF | P14174 | 2/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.34 |
| ▸ | ELANE | P08246 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8398612 | 0.85 | CYP1A2 (0.39) | ITGA4ITGB7MDM2TSHRKMT2A | |
| SCHEMBL15106318 | 0.85 | CYP1A2 (0.39) | ITGA4ITGB7MDM2TSHRKMT2A | |
| SCHEMBL28666508 | 0.85 | IDO1 (0.34) | ITGA4ITGB7KMT2A | |
| SCHEMBL28666510 | 0.85 | IDO1 (0.34) | ITGA4ITGB7KMT2A | |
| SCHEMBL7339208 | 0.85 | MAOB (0.45) | NPC1RAB9ATSHR | |
| SCHEMBL7342688 | 0.85 | PTPN1 (0.46) | RAB9A | |
| SCHEMBL7342630 | 0.83 | ACACB (0.44) | NPC1RAB9A | |
| SCHEMBL4600014 | 0.82 | ITGA4 (0.35) | ITGA4ITGB7CTSSCTSK | |
| SCHEMBL4599268 | 0.82 | ITGA4 (0.35) | ITGA4ITGB7CTSSCTSK | |
| SCHEMBL4600449 | 0.82 | ITGA4 (0.35) | ITGA4ITGB7CTSSCTSK |
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-6423689-B1 | Peptidyl calcium channel blockers | WARNER-LAMBERT COMPANY | 2002-07-23 | — | — | US | disclosed |