Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.44 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | PNMT | P11086 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | PGK1 | P00558 | 1/20 | 0.40 |
| ▸ | PGK2 | P07205 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | HTR2A | P28223 | 3/20 | 0.39 |
| ▸ | ESR1 | P03372 | 3/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.39 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.39 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8792478 | 1.00 | MEN1 (0.47) | MEN1KMT2AGABRA1GABRB2UGT2B7 | |
| SCHEMBL8793457 | 0.88 | GABRA1 (0.44) | GABRA1GABRB2LMNAPNMTPGK1 | |
| SCHEMBL19557961 | 0.88 | GABRA1 (0.44) | GABRA1GABRB2LMNAPNMTPGK1 | |
| SCHEMBL27310903 | 0.85 | GABRA1 (0.42) | GABRA1GABRB2LMNAPNMTPGK1 | |
| SCHEMBL11789845 | 0.83 | HDAC4 (0.42) | GABRA1GABRB2PNMTKDM4EHTR2A | |
| SCHEMBL3919972 | 0.82 | PTGS2 (0.46) | MEN1KMT2AUGT2B7LMNAKDM4E | |
| SCHEMBL26014633 | 0.82 | DAO (0.44) | GABRA1GABRB2LMNAPNMTPGK1 | |
| SCHEMBL3919970 | 0.82 | PTGS2 (0.46) | MEN1KMT2AUGT2B7LMNAKDM4E | |
| SCHEMBL5375384 | 0.82 | MEN1 (0.44) | MEN1KMT2AGABRA1UGT2B7LMNA | |
| SCHEMBL9015267 | 0.80 | LMNA (0.50) | LMNAKDM4EPTGS2PTGS1CYP2C9 |
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-2022189501-A1 | MIXTURES OF META AND PARA SUBSTITUTED 4-ISOBUTYL-CYCLOHEXANE AS AROMA INGREDIENT | BASF SE (DE) | 2022-09-15 | — | — | WO | disclosed |