Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | GSK3B | P49841 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 5/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.44 |
| ▸ | FEN1 | P39748 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| SCHEMBL17595406 | 0.76 | ALDH1A1 (0.50) | ALDH1A1NPC1RAB9APOLBLMNA | |
| SCHEMBL6133802 | 0.74 | ALDH1A1 (0.47) | ALDH1A1NPC1RAB9APOLBLMNA | |
| SCHEMBL27697492 | 0.73 | HPGDS (0.47) | ALDH1A1NPC1RAB9APOLBLMNA | |
| SCHEMBL1449511 | 0.73 | ALDH1A1 (0.50) | ALDH1A1NPC1RAB9APOLBLMNA | |
| SCHEMBL6203299 | 0.71 | NPC1 (0.51) | ALDH1A1NPC1RAB9APOLBLMNA | |
| Hydrochloric Acid SCHEMBL27854977 | 0.71 | CTNNB1 (0.60) | ALDH1A1NPC1RAB9APOLBLMNA | |
| SCHEMBL9568028 | 0.70 | — | — | |
| Thiophene Carboxylic Acid SCHEMBL9653838 | 0.70 | DAO (0.58) | ALDH1A1NPC1RAB9APOLBLMNA | |
| SCHEMBL9049816 | 0.70 | RAB9A (0.64) | ALDH1A1NPC1RAB9APOLBLMNA | |
| SCHEMBL18437367 | 0.69 | ALDH1A1 (0.58) | ALDH1A1NPC1RAB9APOLBLMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0001682-A2 | Heterocyclic compounds and their use as pesticides | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1979-05-02 | — | — | EP | disclosed |