Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 6/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 6/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CDC42 | P60953 | 1/20 | 0.44 |
| ▸ | RAC1 | P63000 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 4/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PTGIR | P43119 | 1/20 | 0.38 |
| ▸ | LDHA | P00338 | 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 | |
|---|---|---|---|---|
| SCHEMBL18509438 | 0.80 | ESR2 (0.36) | CYP1A2TDP1MEN1KMT2A | |
| SCHEMBL8915315 | 0.76 | LDHA (0.47) | AKR1C3AKR1C2PTGS2PTGS1TSHR | |
| SCHEMBL14925281 | 0.74 | KMT2A (0.46) | TSHRHTTKEAP1NFE2L2MEN1 | |
| SCHEMBL17613163 | 0.74 | TSHR (0.35) | TSHRKMT2AKDM4E | |
| SCHEMBL9020581 | 0.73 | CA12 (0.42) | TSHRCYP1A2HTTMEN1KMT2A | |
| SCHEMBL8809964 | 0.71 | KMT2A (0.43) | TSHRCYP1A2HTTKEAP1NFE2L2 | |
| SCHEMBL7960349 | 0.71 | PTGS2 (0.57) | AKR1C3AKR1C2PTGS2PTGS1TSHR | |
| SCHEMBL7412320 | 0.71 | HTT (0.43) | AKR1C3AKR1C2PTGS1TSHRHTT | |
| SCHEMBL27988147 | 0.70 | USP2 (0.40) | AKR1C3AKR1C2PTGS2PTGS1TSHR | |
| SCHEMBL27508922 | 0.70 | HTT (0.56) | AKR1C3AKR1C2PTGS2PTGS1TSHR |
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-2016134145-A9 | ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) | 2017-02-16 | — | — | WO | disclosed |