Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2RL3 | Q96RI0 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 4/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 5/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.37 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL22382461 | 0.84 | APP (0.36) | F2RL3SMN1; SMN2CYP3A4APPCYP2C9 | |
| SCHEMBL2419604 | 0.81 | APP (0.54) | F2RL3ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL17153954 | 0.81 | GLA (0.54) | ALDH1A1KDM4EHPGDHSD17B10GAA | |
| SCHEMBL9305148 | 0.81 | KDM4E (0.47) | F2RL3ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL7975021 | 0.77 | APP (0.57) | F2RL3ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL21066384 | 0.75 | NPC1 (0.42) | ALDH1A1KDM4EHPGDHSD17B10LMNA | |
| SCHEMBL21066386 | 0.74 | NPC1 (0.44) | F2RL3HSD17B10LMNAGAATP53 | |
| SCHEMBL31208304 | 0.74 | NPC1 (0.44) | F2RL3HSD17B10LMNAGAATP53 | |
| SCHEMBL22382386 | 0.74 | APP (0.60) | F2RL3APPGPR119 | |
| SCHEMBL28874507 | 0.73 | NPC1 (0.51) | ALDH1A1LMNATP53MAPTSMN1; SMN2 |
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-5347008-A | Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents | CIBA-GEIGY CORPORATION (US) | 1994-09-13 | — | — | US | disclosed |
| EP-0129506-A2 | Heterocyclically substituted thio(cyclo)alkane polycarboxylic acids | CIBA-GEIGY AG (CH) | 1984-12-27 | — | — | EP | disclosed |