Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | IKBKB | O14920 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
| ▸ | CTSA | P10619 | 4/20 | 0.34 |
| ▸ | MAOA | P21397 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
| ▸ | RORB | Q92753 | 1/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 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 | |
|---|---|---|---|---|
| SCHEMBL8428371 | 0.80 | MAPT (0.39) | NPSR1CTSAKDM4EALDH1A1GAA | |
| SCHEMBL8428247 | 0.77 | KMT2A (0.36) | PDE4BALDH1A1HPGDSMN1; SMN2HSD17B10 | |
| SCHEMBL8428330 | 0.69 | RXRA (0.48) | AKR1C3AKR1C2MAOANR3C1 | |
| SCHEMBL8430715 | 0.67 | IKBKB (0.32) | IKBKB | |
| SCHEMBL8430781 | 0.66 | IKBKB (0.33) | IKBKB | |
| SCHEMBL8428611 | 0.65 | — | — | |
| SCHEMBL3786711 | 0.63 | RORB (0.50) | PDE4BNPSR1AKR1C3AKR1C2CTSA | |
| SCHEMBL3470072 | 0.63 | PDE4B (0.38) | PDE4BCTSASMN1; SMN2MAPT | |
| SCHEMBL13946822 | 0.63 | TYMP (0.40) | KDM4EALDH1A1 | |
| SCHEMBL12892212 | 0.62 | CA2 (0.58) | PDE4BNPSR1KDM4EALDH1A1GAA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5965619-A | ADMINISTERING AN INDENE DERIVATIVE OF GIVEN FORMULA, SUCH AS 1-(2,4,6-TRIMETHOXYBENZYLIDENE)-5-DIMETHYLAMINO-2-METHYL-3-INDENYL ACETIC ACID, TO TREAT PRECANCEROUS LESIONS SUCH AS COLONIC ADENOMATOUS POLYPS; SIDE EFFECT REDUCTION | CELL PATHWAYS INC. (US) | 1999-10-12 | — | — | US | disclosed |