Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | CA1 | P00915 | 5/20 | 0.57 |
| ▸ | CA2 | P00918 | 5/20 | 0.57 |
| ▸ | CES2 | O00748 | 2/20 | 0.53 |
| ▸ | CES1 | P23141 | 2/20 | 0.53 |
| ▸ | PARP1 | P09874 | 1/20 | 0.50 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.50 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.50 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | LDHA | P00338 | 1/20 | 0.49 |
| ▸ | PLK1 | P53350 | 1/20 | 0.47 |
| ▸ | GSK3B | P49841 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6631696 | 0.84 | CA1 (0.53) | ALDH1A1CYP1A2CA1CA2CES2 | |
| SCHEMBL28883199 | 0.81 | ALDH1A1 (0.66) | ALDH1A1CYP1A2CA1CA2CES2 | |
| SCHEMBL6554648 | 0.79 | ALDH1A1 (0.64) | ALDH1A1CYP1A2CA1CA2CES2 | |
| SCHEMBL9614771 | 0.78 | ALDH1A1 (0.62) | ALDH1A1CYP1A2CA1CA2CES2 | |
| SCHEMBL28222504 | 0.78 | ALDH1A1 (0.62) | ALDH1A1CYP1A2CA1CA2CES2 | |
| SCHEMBL3756081 | 0.78 | ALDH1A1 (0.72) | ALDH1A1CYP1A2CA1CA2CES2 | |
| SCHEMBL4102909 | 0.78 | ALDH1A1 (0.62) | ALDH1A1CYP1A2CA1CA2CES2 | |
| Hydrochloric Acid SCHEMBL28222455 | 0.76 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CA1CA2CES2 | |
| SCHEMBL2290396 | 0.76 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CA1CA2CES2 | |
| SCHEMBL5217024 | 0.76 | CES2 (0.61) | ALDH1A1CYP1A2CA1CA2CES2 |
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-1349860-A2 | SYNTHESES FOR PREPARING 1,4-DIKETOPYRROLO[3,4-C]PYRROLES | SUN CHEMICAL CORPORATION (US) | 2003-10-08 | — | — | EP | disclosed |
| WO-2002068422-A2 | SYNTHESES FOR PREPARING 1,4-DIKETOPYRROLO[3,4-C]PYRROLES | SUN CHEMICAL CORPORATION (US) | 2002-09-06 | — | — | WO | disclosed |