Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | GFER | P55789 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 6/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | DHFR | P00374 | 1/20 | 0.43 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | RAD52 | P43351 | 1/20 | 0.41 |
| ▸ | S100B | P04271 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12908043 | 0.86 | ALDH1A1 (0.58) | MEN1KMT2ALMNAMAPK1ALDH1A1 | |
| SCHEMBL13419187 | 0.84 | ALDH1A1 (0.61) | MEN1KMT2ALMNAMAPK1ALDH1A1 | |
| SCHEMBL13907868 | 0.83 | MAPT (0.57) | KMT2ANPC1RAB9AALDH1A1POLB | |
| SCHEMBL18118476 | 0.80 | ADRB1 (0.64) | MEN1KMT2ALMNANPC1RAB9A | |
| SCHEMBL12082638 | 0.79 | MAPT (0.64) | LMNAMAPK1NPC1RAB9AALDH1A1 | |
| SCHEMBL12864867 | 0.77 | MAPT (0.64) | MEN1KMT2ALMNAMAPK1NPC1 | |
| SCHEMBL12772282 | 0.77 | CHRM1 (0.51) | MEN1KMT2ALMNANPC1RAB9A | |
| SCHEMBL13419460 | 0.75 | HTR3A (0.56) | ADRB1 | |
| SCHEMBL327765 | 0.75 | ADRB1 (0.64) | MEN1KMT2ALMNANPC1RAB9A | |
| SCHEMBL10063748 | 0.75 | ADRB1 (0.70) | MEN1KMT2ALMNAMAPK1GFER |
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-3626242-A1 | ITRACONAZOLE ANALOGS AS INHIBITORS OF FIBROSIS | The Scripps Research Institute (US) | 2020-03-25 | — | — | EP | disclosed |