Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | TARBP2 | Q15633 | 1/20 | 0.35 |
| ▸ | XDH | P47989 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9643792 | 0.87 | ALDH1A1 (0.53) | ALDH1A1HPGDTSHRSMN1; SMN2KDM4E | |
| Hydrochloric Acid SCHEMBL9644334 | 0.85 | ALDH1A1 (0.52) | ALDH1A1HPGDTSHRSMN1; SMN2KDM4E | |
| SCHEMBL301204 | 0.85 | ALDH1A1 (0.55) | ALDH1A1HPGDTSHRSMN1; SMN2KDM4E | |
| SCHEMBL21985438 | 0.84 | CNR1 (0.40) | ALDH1A1HPGDTSHRSMN1; SMN2KDM4E | |
| SCHEMBL14108714 | 0.74 | SMN1; SMN2 (0.67) | ALDH1A1HPGDSMN1; SMN2KDM4ERAB9A | |
| SCHEMBL9644165 | 0.72 | ALDH1A1 (0.59) | ALDH1A1HPGDTSHRSMN1; SMN2KDM4E | |
| SCHEMBL5197970 | 0.72 | DHODH (0.44) | ALDH1A1HPGDTSHRSMN1; SMN2KDM4E | |
| SCHEMBL286332 | 0.71 | ALDH1A1 (0.63) | ALDH1A1HPGDTSHRSMN1; SMN2KDM4E | |
| SCHEMBL9644328 | 0.70 | ALDH1A1 (0.39) | ALDH1A1HPGDTSHRSMN1; SMN2RAB9A | |
| SCHEMBL241856 | 0.70 | ALDH1A1 (0.61) | ALDH1A1HPGDTSHRSMN1; SMN2KDM4E |
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-3016949-B1 | PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS | SYNGENTA PARTICIPATIONS AG (CH) | 2020-05-13 | — | — | EP | disclosed |