Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 6/20 | 0.34 |
| ▸ | MAPT | P10636 | 5/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 5/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.32 |
| ▸ | LY96 | Q9Y6Y9 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 4/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7140082 | 1.00 | KMT2A (0.34) | KMT2AALDH1A1RAB9AMAPTAR | |
| SCHEMBL7142510 | 0.87 | ALDH1A1 (0.40) | KMT2AALDH1A1RAB9AMAPTAR | |
| SCHEMBL7142506 | 0.87 | ALDH1A1 (0.40) | KMT2AALDH1A1RAB9AMAPTAR | |
| SCHEMBL7140258 | 0.83 | LY96 (0.47) | KMT2AALDH1A1RAB9AMAPTAR | |
| SCHEMBL7140256 | 0.83 | LY96 (0.47) | KMT2AALDH1A1RAB9AMAPTAR | |
| SCHEMBL7139096 | 0.80 | MAOB (0.42) | KMT2AALDH1A1ARMAOBCYP1A2 | |
| SCHEMBL7139094 | 0.80 | MAOB (0.42) | KMT2AALDH1A1ARMAOBCYP1A2 | |
| SCHEMBL7141886 | 0.80 | TUBB4A (0.40) | ARMAOB | |
| SCHEMBL7141881 | 0.80 | TUBB4A (0.40) | ARMAOB | |
| SCHEMBL7144515 | 0.77 | KDM1A (0.44) | KMT2AALDH1A1RAB9AMAPTAR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0996439-B1 | BETA-ALKOXYACRYLATES AGAINST MALARIA | HOFFMANN LA ROCHE (CH) | 2003-01-08 | — | — | EP | disclosed |
| US-6084120-A | ACTIVE AGAINST CHLOROQUINE-SENSITIVE PATIENTS AND AGAINST CHLOROQUINE-RESISTANT MALARIA PATHOGENS; PROPHYLAXIS AND TREATMENT; E.G., A 3 METHOXY-2-(2-(4-PHENYLBUTA-1,3-DIEN-1-YL)PHENYL)ACRYLIC ACID | HOFFMANN-LA ROCHE INC. (US) | 2000-07-04 | — | — | US | disclosed |