Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | XBP1 | P17861 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 13/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL11341685 | 0.84 | ALDH1A1 (0.48) | ALDH1A1HPGDCYP1A2XBP1CYP2C19 | |
| SCHEMBL11281404 | 0.81 | ALDH1A1 (0.51) | ALDH1A1HPGDCYP1A2XBP1CYP2C19 | |
| SCHEMBL11349765 | 0.81 | ALDH1A1 (0.55) | ALDH1A1HPGDCYP1A2XBP1CYP2C19 | |
| SCHEMBL11342977 | 0.80 | ALDH1A1 (0.45) | ALDH1A1HPGDCYP1A2XBP1CYP2C19 | |
| SCHEMBL11345880 | 0.80 | ALDH1A1 (0.43) | ALDH1A1HPGDCYP1A2XBP1CYP2C19 | |
| SCHEMBL11259797 | 0.80 | MCL1 (0.30) | — | |
| SCHEMBL11342320 | 0.80 | HPGD (0.43) | ALDH1A1HPGDCYP1A2XBP1CYP2C19 | |
| SCHEMBL11343967 | 0.80 | ALDH1A1 (0.43) | ALDH1A1HPGDCYP1A2XBP1CYP2C19 | |
| SCHEMBL11347978 | 0.80 | ALDH1A1 (0.47) | ALDH1A1HPGDCYP1A2XBP1CYP2C19 | |
| SCHEMBL11347384 | 0.80 | ALDH1A1 (0.49) | ALDH1A1HPGDCYP1A2XBP1CYP2C19 |
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-0010617-B1 | NOVEL 2-SUBSTITUTED-3-HETEROCYCLYLINDOLES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SCHERING CORPORATION (US) | 1981-08-05 | — | — | EP | disclosed |
| EP-0010617-A1 | Novel 2-substituted-3-heterocyclylindoles, their preparation and pharmaceutical compositions containing them | SCHERING CORPORATION (US) | 1980-05-14 | — | — | EP | disclosed |