Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.52 |
| ▸ | MEN1 | O00255 | 4/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.47 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 6/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | DHODH | Q02127 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8429927 | 0.87 | CYP2C9 (0.58) | CYP3A4KDM4EALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL28676204 | 0.82 | KDM4E (0.62) | CYP3A4KDM4EMEN1KMT2AALDH1A1 | |
| SCHEMBL4007503 | 0.81 | CYP3A4 (0.73) | CYP3A4KDM4EMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL7962384 | 0.76 | CYP3A4 (0.57) | CYP3A4MEN1KMT2ACACNA1BAPBA1 | |
| SCHEMBL31310821 | 0.75 | ALDH1A1 (0.61) | CYP3A4KDM4EMEN1KMT2AALDH1A1 | |
| SCHEMBL14990402 | 0.75 | ALDH1A1 (0.61) | CYP3A4KDM4EMEN1KMT2AALDH1A1 | |
| SCHEMBL31310820 | 0.74 | PLA2G2A (0.65) | CYP3A4KDM4EMEN1KMT2AALDH1A1 | |
| SCHEMBL5400497 | 0.74 | PLA2G2A (0.65) | CYP3A4KDM4EMEN1KMT2AALDH1A1 | |
| SCHEMBL2918797 | 0.73 | KDM4E (0.67) | CYP3A4KDM4EMEN1KMT2AALDH1A1 | |
| SCHEMBL4393431 | 0.70 | CYP3A4 (0.62) | CYP3A4KDM4EMEN1KMT2AALDH1A1 |
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-6187928-B1 | TREATING FUNGAL DISEASES | THE ROCKEFELLER UNIVERSITY | 2001-02-13 | — | — | US | disclosed |
| US-6087510-A | Method of use of imidazolium cations | THE ROCKEFELLER UNIVERSITY (US) | 2000-07-11 | — | — | US | disclosed |