Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.35 |
| ▸ | CRHBP | P24387 | 1/20 | 0.35 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP4 | P49662 | 1/20 | 0.33 |
| ▸ | CASP5 | P51878 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL478677 | 1.00 | CYP1A2 (0.42) | CYP1A2HPGDCHRM3PDE4APDE4B | |
| SCHEMBL4552615 | 0.98 | CYP1A2 (0.39) | CYP1A2HPGDCHRM3PDE4APDE4B | |
| SCHEMBL31097966 | 0.93 | — | — | |
| SCHEMBL23152060 | 0.83 | KMT2A (0.42) | CYP1A2SMN1; SMN2CRHBPCRHR2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL27818600 | 0.81 | KMT2A (0.41) | CYP1A2SMN1; SMN2CRHBPCRHR2ALDH1A1 | |
| SCHEMBL20395811 | 0.79 | BPTF (0.46) | CYP1A2HPGDALDH1A1MAPK1HTT | |
| SCHEMBL232813 | 0.70 | — | — | |
| SCHEMBL14503215 | 0.69 | CYP1A2 (0.75) | CYP1A2HPGDSMN1; SMN2ALDH1A1MAPK1 | |
| SCHEMBL15551479 | 0.67 | KMT2A (0.38) | CYP1A2HPGDALDH1A1NPC1RAB9A | |
| SCHEMBL28246071 | 0.66 | MAPT (0.41) | HPGDSMN1; SMN2ALDH1A1NPC1RAB9A |
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-0981539-A1 | DOLASTATIN 15 DERIVATIVES WITH CARBONYL AND HETEROCYCLIC FUNCTIONALITIES AT THE C-TERMINUS | BASF AKTIENGESELLSCHAFT (DE) | 2000-03-01 | — | — | EP | disclosed |
| WO-1998040400-A1 | DOLASTATIN 15 DERIVATIVES WITH CARBONYL AND HETEROCYCLIC FUNCTIONALITIES AT THE C-TERMINUS | BASF AKTIENGESELLSCHAFT (DE) | 1998-09-17 | — | — | WO | disclosed |