Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | HPGD | P15428 | 4/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | XBP1 | P17861 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | HTR6 | P50406 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.42 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.42 |
| ▸ | TUBB | P07437 | 1/20 | 0.42 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.42 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.42 |
| ▸ | TUBA4A | P68366 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11348164 | 0.91 | ALDH1A1 (0.46) | ALDH1A1HPGDCYP1A2XBP1CYP2C19 | |
| SCHEMBL11348650 | 0.86 | ALDH1A1 (0.55) | ALDH1A1HPGDCYP1A2XBP1CYP2C19 | |
| SCHEMBL11298738 | 0.83 | ALDH1A1 (0.69) | ALDH1A1HPGDCYP1A2XBP1CYP2C19 | |
| SCHEMBL11343435 | 0.83 | ALOX15 (0.60) | ALDH1A1HPGDCYP1A2XBP1CYP2C19 | |
| SCHEMBL11344420 | 0.83 | ALDH1A1 (0.72) | ALDH1A1HPGDCYP1A2XBP1CYP2C19 | |
| SCHEMBL11281404 | 0.83 | ALDH1A1 (0.51) | ALDH1A1HPGDCYP1A2XBP1CYP2C19 | |
| SCHEMBL11297186 | 0.80 | ALDH1A1 (0.57) | ALDH1A1HPGDCYP1A2XBP1CYP2C19 | |
| SCHEMBL11306213 | 0.79 | HPGD (0.56) | ALDH1A1HPGDCYP1A2XBP1CYP2C19 | |
| SCHEMBL11259837 | 0.79 | CBFB (0.40) | KMT2A | |
| SCHEMBL11257258 | 0.78 | CBFB (0.39) | ALDH1A1HPGDKDM4EHSD17B10LMNA |
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 |