Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 4/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.45 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.45 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.45 |
| ▸ | ALB | P02768 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | RARB | P10826 | 1/20 | 0.45 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.45 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.45 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11668967 | 1.00 | PTGS1 (0.45) | PTGS1PTGS2LMNACYP2C9AKR1C3 | |
| SCHEMBL11783073 | 0.82 | HPGD (0.43) | PTGS1PTGS2LMNACYP2C9AKR1C3 | |
| SCHEMBL11765248 | 0.82 | HPGD (0.43) | PTGS1PTGS2LMNACYP2C9AKR1C3 | |
| SCHEMBL11661049 | 0.81 | PTGS1 (0.42) | PTGS1PTGS2LMNACYP2C9AKR1C3 | |
| SCHEMBL11661045 | 0.81 | PTGS1 (0.42) | PTGS1PTGS2LMNACYP2C9AKR1C3 | |
| SCHEMBL29119462 | 0.79 | TSHR (0.46) | LMNATSHRHPGDALDH1A1KMT2A | |
| SCHEMBL9447417 | 0.77 | ALDH1A1 (0.47) | LMNAHPGDMEN1ALDH1A1KMT2A | |
| SCHEMBL15991618 | 0.77 | ALDH1A1 (0.47) | LMNAESR1HPGDALDH1A1SMN1; SMN2 | |
| SCHEMBL9447416 | 0.77 | ALDH1A1 (0.47) | LMNAHPGDMEN1ALDH1A1KMT2A | |
| SCHEMBL15991621 | 0.77 | ALDH1A1 (0.47) | LMNAESR1HPGDALDH1A1SMN1; SMN2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-52118445-A | — | — | None | — | — | JP | disclosed |
| JP-52118443-A | — | — | None | — | — | JP | disclosed |
| US-4131747-A | Process for preparing α-substituted phenylalkanecarboxylic acid | ONO PHARMACEUTICAL CO., LTD. (JP) | 1978-12-26 | — | — | US | disclosed |
| JP-S52118443-A | SYNTHESIS OF 3-METHYL-3-(4-ISOBUTYLPHENYL)PYRUVIC ACID | GRELAN PHARMACEUT CO LTD | 1977-10-04 | — | — | JP | disclosed |
| JP-S52118445-A | 2-CYANO-3-METHYL-3-(4-ISOBUTYLPHENYL)ACRYLIC ACID DERIVATIVES AND MET HOD OF PREPARING THE SAME | GRELAN PHARMACEUT CO LTD | 1977-10-04 | — | — | JP | disclosed |