Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2D | O15399 | 1/20 | 0.53 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.53 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.53 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.53 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.53 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.53 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.53 |
| ▸ | FDPS | P14324 | 1/20 | 0.44 |
| ▸ | SCN4A | P35499 | 2/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.39 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.38 |
| ▸ | CTSA | P10619 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL8722436 | 1.00 | GRIN2D (0.53) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL31570743 | 0.84 | SLC6A3 (0.57) | SLC6A3FDPSKDM1AMAOBPDPK1 | |
| SCHEMBL387916 | 0.83 | SLC6A3 (0.55) | SLC6A3FDPSSCN4A | |
| SCHEMBL9050793 | 0.80 | FDPS (0.41) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL30380236 | 0.79 | SLC6A3 (0.53) | SLC6A3FDPSKDM1AMAOBPDPK1 | |
| SCHEMBL9372854 | 0.75 | — | — | |
| Thiophene SCHEMBL28462151 | 0.74 | SLC6A3 (0.48) | SLC6A3FDPSKDM1AMAOBPDPK1 | |
| SCHEMBL27722097 | 0.72 | SLC6A3 (0.49) | SLC6A3FDPSKDM1AMAOBCTSA | |
| SCHEMBL3407472 | 0.72 | — | — | |
| SCHEMBL18040189 | 0.72 | GRIN2D (0.67) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0981358-A1 | DOLASTATIN-15 DERIVATIVES IN COMBINATION WITH TAXANES | BASF AKTIENGESELLSCHAFT (DE) | 2000-03-01 | — | — | EP | disclosed |
| WO-1998040092-A1 | DOLASTATIN-15 DERIVATIVES IN COMBINATION WITH TAXANES | BASF AKTIENGESELLSCHAFT (DE) | 1998-09-17 | — | — | WO | disclosed |
| EP-0642530-A1 | DERIVATIVES OF DOLASTATIN | BASF Aktiengesellschaft (DE) | 1995-03-15 | — | — | EP | disclosed |