Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 2/20 | 0.47 |
| ▸ | DRD3 | P35462 | 2/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | DRD5 | P21918 | 1/20 | 0.47 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.46 |
| ▸ | BAD | Q92934 | 1/20 | 0.46 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.41 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2804587 | 0.87 | AKR1C3 (0.50) | DRD1DRD3DRD2DRD5BCL2L1 | |
| SCHEMBL17197242 | 0.85 | NOTUM (0.63) | DRD1DRD3DRD2DRD5BCL2L1 | |
| SCHEMBL3157303 | 0.84 | HPGD (0.53) | DRD1DRD3DRD2DRD5SMN1; SMN2 | |
| SCHEMBL16637906 | 0.84 | TRAP1 (0.43) | DRD1DRD3BCL2L1BADNOTUM | |
| SCHEMBL30726807 | 0.83 | ALDH1A1 (0.51) | DRD2NOTUMMAPTMEN1KMT2A | |
| SCHEMBL28182441 | 0.83 | HPGD (0.44) | NOTUMMAPTMEN1KMT2ATAAR1 | |
| SCHEMBL20564523 | 0.82 | ABHD6 (0.60) | DRD2NOTUMMAPTMEN1KMT2A | |
| SCHEMBL13082466 | 0.82 | CYP2D6 (0.51) | DRD2NOTUMRAB9AAKR1C3AKR1C1 | |
| SCHEMBL13082467 | 0.82 | RIPK1 (0.49) | DRD2NOTUMMAPTMEN1KMT2A | |
| SCHEMBL29118091 | 0.82 | NOTUM (0.42) | NOTUMMAPTMEN1KMT2ATAAR1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4139294-A1 | TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS | C4x Discovery Limited (GB) | 2023-03-01 | — | — | EP | disclosed |
| CN-109890797-B | Substituted carbon nucleoside derivatives useful as anticancer agents | 辉瑞公司 | 2023-02-28 | — | — | CN | disclosed |
| CN-115594669-A | Fused ring derivative and preparation method and medical application thereof | 深圳信立泰药业股份有限公司（CN） | 2023-01-13 | — | — | CN | disclosed |
| WO-2021214470-A1 | TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS | C4X DISCOVERY LIMITED (GB) | 2021-10-28 | — | — | WO | disclosed |
| CN-105263924-B | Cxcr7 receptor modulators | 爱杜西亚制药有限公司 | 2018-10-19 | — | — | CN | disclosed |
| EP-3004082-A1 | CXCR7 RECEPTOR MODULATORS | Actelion Pharmaceuticals Ltd. (CH) | 2016-04-13 | — | — | EP | disclosed |
| WO-2014191929-A1 | CXCR7 RECEPTOR MODULATORS | ACTELION PHARMACEUTICALS LTD (CH) | 2014-12-04 | — | — | WO | disclosed |