Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.53 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.52 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | APEX1 | P27695 | 1/20 | 0.46 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.46 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.46 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.46 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.44 |
| ▸ | S1PR4 | O95977 | 6/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL24670336 | 0.90 | TRPV1 (0.57) | NR1H4TRPV1PTGS1KDM4EMEN1 | |
| SCHEMBL24891741 | 0.84 | MEN1 (0.63) | NR1H4TRPV1PTGS1KDM4EMEN1 | |
| SCHEMBL9236055 | 0.82 | NR1H4 (0.70) | NR1H4TRPV1KDM4EMEN1POLB | |
| SCHEMBL4740034 | 0.80 | PTPN1 (0.63) | MEN1POLBKMT2ATDP1LMNA | |
| Trifluoroacetic Acid SCHEMBL30182563 | 0.80 | HDAC3 (0.46) | NR1H4MEN1KMT2ANPC1RAB9A | |
| SCHEMBL15651884 | 0.80 | POLB (0.73) | NR1H4TRPV1PTGS1KDM4EMEN1 | |
| SCHEMBL8185226 | 0.80 | MEN1 (0.62) | NR1H4TRPV1KDM4EMEN1POLB | |
| Trifluoroacetic Acid SCHEMBL29803776 | 0.78 | MLYCD (0.49) | NR1H4TRPV1KDM4EMEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL30182473 | 0.78 | KDM4E (0.48) | NR1H4KDM4EKMT2ALMNANPC1 | |
| SCHEMBL3687154 | 0.78 | KDM4E (0.65) | TRPV1KDM4EPOLBKMT2ALMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022192162-A1 | NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE | FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) | 2022-09-15 | — | — | WO | disclosed |