Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTR | P02766 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 4/20 | 0.39 |
| ▸ | CES1 | P23141 | 4/20 | 0.39 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.34 |
| ▸ | TPMT | P51580 | 2/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9693817 | 0.88 | CES2 (0.50) | TTRTSHRCES2CES1NPC1 | |
| SCHEMBL2967888 | 0.84 | HPGD (0.43) | TTRTSHRCES2CES1SRD5A2 | |
| SCHEMBL667661 | 0.82 | TTR (0.62) | TTRTSHRSRD5A2TPMTDAO | |
| SCHEMBL668724 | 0.82 | TTR (0.39) | TTRTSHRCES2CES1SRD5A2 | |
| SCHEMBL15199066 | 0.80 | CA5A (0.46) | TTRTSHRCES2CES1TPMT | |
| SCHEMBL27851699 | 0.80 | LMNA (0.44) | TTRTSHRCES2CES1KDM4E | |
| SCHEMBL9693851 | 0.79 | CA1 (0.36) | TTRTSHRCES2CES1MEN1 | |
| SCHEMBL10978157 | 0.77 | PYGL (0.38) | — | |
| SCHEMBL12097462 | 0.77 | CES1 (0.45) | TTRTSHRCES2CES1 | |
| SCHEMBL9693915 | 0.77 | KCNQ3 (0.47) | TSHRCES2CES1NPC1RAB9A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5607977-A | PESTICIDES | SHELL AGRAR GMBH & CO. KG (DE) | 1997-03-04 | — | — | US | disclosed |
| EP-0270964-B1 | PROCESS FOR OBTAINING SUBSTITUTED FLUOROBENZENES | BAYER AG (DE) | 1992-07-08 | — | — | EP | disclosed |
| US-4868347-A | SOLVENT EXTRACTION | BAYER AKTIENGESELLSCHAFT (DE) | 1989-09-19 | — | — | US | disclosed |
| EP-0270964-A2 | Process for obtaining substituted fluorobenzenes | BAYER AG (DE) | 1988-06-15 | — | — | EP | disclosed |