Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KA3 | P51812 | 8/20 | 0.57 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.45 |
| ▸ | COMT | P21964 | 1/20 | 0.44 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | STAT1 | P42224 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29153269 | 0.82 | RPS6KA3 (0.70) | RPS6KA3SLC22A12NPC1RAB9AMEN1 | |
| SCHEMBL7465016 | 0.79 | RPS6KA3 (0.54) | RPS6KA3SLC22A12ALDH1A1HPGDHSD17B10 | |
| SCHEMBL13347733 | 0.79 | RPS6KA3 (0.51) | RPS6KA3SLC22A12KDRNPC1RAB9A | |
| SCHEMBL22236422 | 0.78 | RPS6KA3 (0.50) | RPS6KA3MEN1KMT2AKDM4E | |
| SCHEMBL5781553 | 0.76 | RPS6KA3 (0.49) | RPS6KA3SLC22A12KDRNPC1RAB9A | |
| SCHEMBL15296271 | 0.76 | RPS6KA3 (0.61) | RPS6KA3SLC22A12KDRGSK3BCACNA1B | |
| SCHEMBL22516663 | 0.76 | RPS6KA3 (0.49) | RPS6KA3SLC22A12KDRNPC1RAB9A | |
| SCHEMBL18483396 | 0.76 | RPS6KA3 (0.49) | RPS6KA3SLC22A12KDRNPC1RAB9A | |
| SCHEMBL19998587 | 0.76 | RPS6KA3 (0.53) | RPS6KA3SLC22A12KDRNPC1RAB9A | |
| SCHEMBL30732664 | 0.75 | CYP2A6 (0.58) | RPS6KA3NPC1RAB9AKDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1102751-A4 | NOVEL BI- AND TRI-CYCLIC AZA COMPOUNDS AND THEIR USES | UNIV GEORGETOWN (US) | 2005-06-22 | — | — | EP | disclosed |
| EP-1102751-A1 | NOVEL BI- AND TRI-CYCLIC AZA COMPOUNDS AND THEIR USES | Georgetown University (US) | 2001-05-30 | — | — | EP | disclosed |
| US-6150376-A | TROPANE-DERIVED MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS EXHIBIT SELECTIVITY FOR EITHER THE SEROTONIN OR DOPAMINE TRANSPORTER; SIDE-EFFECT REDUCTION; ANTIDEPRESSANTS, COGNITION ACTIVATORS; PSYCHOLOGICAL DISORDERS | GEORGETOWN UNIVERSITY (US) | 2000-11-21 | — | — | US | disclosed |
| WO-2000007994-A1 | NOVEL BI- AND TRI-CYCLIC AZA COMPOUNDS AND THEIR USES | GEORGETOWN UNIVERSITY (US) | 2000-02-17 | — | — | WO | disclosed |