Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 4/20 | 0.46 |
| ▸ | BRD4 | O60885 | 1/20 | 0.45 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 6/20 | 0.43 |
| ▸ | XDH | P47989 | 1/20 | 0.43 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.43 |
| ▸ | CTSD | P07339 | 3/20 | 0.42 |
| ▸ | BACE2 | Q9Y5Z0 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL25028116 | 0.79 | F11 (0.43) | PGRBRD4CLK4XDHSLC22A12 | |
| SCHEMBL9837439 | 0.76 | RAB9A (0.41) | PGRTGFBR1CLK4 | |
| SCHEMBL6003407 | 0.75 | BRD4 (0.43) | PGRBRD4TGFBR1CLK4BACE1 | |
| SCHEMBL9834685 | 0.75 | PGR (0.51) | PGRTGFBR1BACE1 | |
| SCHEMBL25027823 | 0.73 | SMO (0.46) | BRD4CLK4XDHSLC22A12 | |
| SCHEMBL2154026 | 0.72 | CLK4 (0.65) | PGRCLK4XDHSLC22A12 | |
| SCHEMBL11555464 | 0.71 | BRD4 (0.54) | PGRBRD4TGFBR1CLK4BACE1 | |
| SCHEMBL27787243 | 0.70 | CLK4 (0.63) | PGRCLK4XDHSLC22A12 | |
| SCHEMBL14620062 | 0.70 | COMT (0.40) | BRD4BACE1 | |
| SCHEMBL21189130 | 0.69 | CLK4 (0.57) | PGRCLK4XDHSLC22A12CHEK1 |
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-0133156-B1 | 1,4-DIKETOPYRROLO-(3,4-C) PYRROLES | CIBA-GEIGY AG (CH) | 1991-07-10 | — | — | EP | disclosed |
| US-4666455-A | Compositions pigmented with N-substituted 1,4-diketopyrrolo-[3,4-c]-pyrroles | CIBA-GEIGY CORPORATION (US) | 1987-05-19 | — | — | US | disclosed |
| US-4585878-A | N-substituted 1,4-diketopyrrolo-[3,4-c]-pyrroles | CIBA-GEIGY CORPORATION (US) | 1986-04-29 | — | — | US | disclosed |
| EP-0133156-A2 | 1,4-Diketopyrrolo-(3,4-c) pyrroles | CIBA-GEIGY AG (CH) | 1985-02-13 | — | — | EP | disclosed |