Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 5/20 | 0.48 |
| ▸ | RAB9A | P51151 | 5/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | TARBP2 | Q15633 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7377635 | 0.87 | KDM4E (0.61) | ALDH1A1KDM4EHPGDGAANPC1 | |
| SCHEMBL995898 | 0.84 | HPGD (0.53) | ALDH1A1KDM4EHPGDLMNAABCG2 | |
| SCHEMBL6215960 | 0.84 | HPGD (0.53) | ALDH1A1KDM4EHPGDLMNAABCG2 | |
| SCHEMBL11367616 | 0.84 | ALDH1A1 (0.52) | ALDH1A1KDM4EHPGDLMNAABCG2 | |
| SCHEMBL11375094 | 0.83 | LMNA (0.51) | ALDH1A1KDM4EHPGDLMNAABCG2 | |
| SCHEMBL14108191 | 0.81 | ALDH1A1 (0.54) | ALDH1A1KDM4EHPGDGAANPC1 | |
| SCHEMBL8569388 | 0.81 | KDM4E (0.54) | ALDH1A1KDM4EHPGDLMNAPKM | |
| SCHEMBL21681989 | 0.81 | RAB9A (0.45) | ALDH1A1KDM4EHPGDGAANPC1 | |
| SCHEMBL26599909 | 0.79 | NPC1 (0.52) | ALDH1A1KDM4EHPGDLMNAGAA | |
| SCHEMBL31324803 | 0.79 | KDM4E (0.81) | ALDH1A1KDM4EHPGDLMNAPKM |
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 |
|---|---|---|---|---|---|---|---|
| US-5739336-A | SELECTIVE 5-HYDROXYTRYPTAMINE-2C RECEPTOR ANTAGONISTS | SYNTEX (U.S.A.) INC. (US) | 1998-04-14 | — | — | US | disclosed |
| WO-1997000872-A1 | 1,3,8-TRIAZA- AND 3,8-DIAZA-1-OXASPIRO(4,5)DECANE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 1997-01-09 | — | — | WO | disclosed |