Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.57 |
| ▸ | METAP2 | P50579 | 1/20 | 0.47 |
| ▸ | PIM1 | P11309 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.40 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CBFB | Q13951 | 1/20 | 0.40 |
| ▸ | DHODH | Q02127 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | METAP1 | P53582 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7965613 | 0.83 | CYP2C9 (0.55) | CYP3A4NPSR1TDP1CBFBDHODH | |
| SCHEMBL4007503 | 0.79 | CYP3A4 (0.73) | CYP3A4MEN1KMT2ADHODH | |
| SCHEMBL26649767 | 0.76 | DHODH (0.60) | CYP3A4NPSR1MEN1KMT2ADHODH | |
| SCHEMBL7967523 | 0.76 | CYP3A4 (0.60) | CYP3A4NPSR1TDP1MEN1CACNA1B | |
| SCHEMBL1259674 | 0.75 | ACHE (0.59) | DHODHCYP2C9 | |
| SCHEMBL321962 | 0.74 | METAP2 (0.54) | CYP3A4METAP2PIM1NPSR1TDP1 | |
| SCHEMBL29660606 | 0.74 | METAP2 (0.54) | CYP3A4METAP2PIM1NPSR1TDP1 | |
| SCHEMBL14734857 | 0.74 | METAP2 (0.50) | CYP3A4METAP2PIM1KMT2ADHODH | |
| SCHEMBL6078617 | 0.72 | ADRA1A (0.43) | METAP2 | |
| SCHEMBL8272308 | 0.72 | CYP3A4 (0.47) | CYP3A4METAP2PIM1 |
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 |