Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 5/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.45 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.43 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.43 |
| ▸ | MAPKAPK3 | Q16644 | 1/20 | 0.43 |
| ▸ | MAPKAPK5 | Q8IW41 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11247608 | 0.89 | ESR1 (0.48) | ALDH1A1NPC1MAPTRAB9AKMT2A | |
| SCHEMBL11348678 | 0.87 | AVPR1A (0.48) | POLBKMT2AESR1HSD11B1 | |
| SCHEMBL11239836 | 0.86 | ESR1 (0.56) | ALDH1A1KDM4EGAANPC1MAPT | |
| SCHEMBL11249424 | 0.85 | KDM4E (0.53) | ALDH1A1KDM4EGAAMAPTLMNA | |
| SCHEMBL11251330 | 0.82 | SMN1; SMN2 (0.56) | ALDH1A1KDM4ENPC1MAPTLMNA | |
| SCHEMBL11239440 | 0.79 | KMT2A (0.53) | ALDH1A1NPC1MAPTLMNARAB9A | |
| SCHEMBL11240783 | 0.79 | MEN1 (0.56) | ALDH1A1KDM4EGAANPC1MAPT | |
| SCHEMBL11353558 | 0.76 | HTR1A (0.54) | ALDH1A1MAPTLMNAKMT2A | |
| SCHEMBL11239643 | 0.75 | ESR1 (0.57) | ESR1 | |
| SCHEMBL11351356 | 0.75 | ESR1 (0.54) | ALDH1A1KDM4EMAPTESR1HSD17B10 |
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-4251538-A | Indolealkylamines and processes for their preparation | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1981-02-17 | — | — | US | disclosed |