Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ASPH | Q12797 | 1/20 | 0.40 |
| ▸ | KDM8 | Q8N371 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | APEX1 | P27695 | 1/20 | 0.39 |
| ▸ | CXCL8 | P10145 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | SELL | P14151 | 1/20 | 0.38 |
| ▸ | SELP | P16109 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | MMP12 | P39900 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
| ▸ | MMP14 | P50281 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL974928 | 0.82 | KDM4E (0.41) | KDM4EASPHKDM8CYP1A2SELL | |
| SCHEMBL5248959 | 0.82 | GABRP (0.42) | KDM4EASPHKDM8CYP1A2CES2 | |
| SCHEMBL542766 | 0.82 | KDM4E (0.41) | KDM4EASPHKDM8CYP1A2SELL | |
| SCHEMBL3991676 | 0.80 | FFAR4 (0.39) | KDM4ECXCL8MAPTCES2CES1 | |
| SCHEMBL1713540 | 0.80 | CYP1A2 (0.58) | KDM4EASPHKDM8CYP1A2MAPT | |
| SCHEMBL30548341 | 0.80 | CYP1A2 (0.58) | KDM4EASPHKDM8CYP1A2MAPT | |
| SCHEMBL892933 | 0.79 | CES2 (0.45) | AKR1B1CXCL8CES2CES1TSHR | |
| SCHEMBL29459927 | 0.79 | CES2 (0.45) | AKR1B1CXCL8CES2CES1TSHR | |
| SCHEMBL2139522 | 0.78 | AKR1B1 (0.52) | AKR1B1KDM4EAPEX1CXCL8MAPT | |
| SCHEMBL30517175 | 0.78 | CES2 (0.43) | AKR1B1CXCL8CES2CES1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| JP-2000327629-A | PHENYLACETIC ACID DERIVATIVE, BENZONITRILE DERIVATIVE AND PRODUCTION THEREOF | NIPPON SHOKUBAI CO LTD | 2000-11-28 | — | — | JP | disclosed |