Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | SLC8B1 | Q6J4K2 | 1/20 | 0.39 |
| ▸ | FDFT1 | P37268 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6941848 | 0.90 | FDFT1 (0.39) | TSHRPOLBCYP2C9CYP2C19CYP3A4 | |
| SCHEMBL6950779 | 0.89 | FDFT1 (0.41) | TSHRPOLBCYP2C9CYP2C19CYP3A4 | |
| SCHEMBL6952002 | 0.88 | MEN1 (0.39) | TSHRPOLBCYP2C19MAPK1MAPT | |
| SCHEMBL6949797 | 0.86 | ABCC1 (0.39) | TSHRALOX12MAPK1TP53LMNA | |
| SCHEMBL6946595 | 0.84 | POLB (0.41) | TSHRPOLBCYP2C9CYP2C19CYP3A4 | |
| SCHEMBL6947204 | 0.83 | MAPK1 (0.37) | TSHRPOLBCYP3A4MAPK1MAPT | |
| SCHEMBL6766521 | 0.83 | TSHR (0.46) | TSHRPOLBCYP2C9CYP2C19CYP3A4 | |
| SCHEMBL6947184 | 0.82 | TSHR (0.43) | TSHRMAPT | |
| SCHEMBL6945548 | 0.82 | MEN1 (0.38) | POLBCYP2C9CYP2C19ALOX12MAPK1 | |
| SCHEMBL6947302 | 0.82 | TRPM4 (0.39) | TSHRMAPK1RECQLLMNAALDH1A1 |
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-2003522758-A | — | — | 2003-07-29 | — | — | JP | claimed |
| EP-1254118-A2 | SUBSTITUTED 1,2,3,4- TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID DERIVATIVES | Grünenthal GmbH (DE) | 2002-11-06 | — | — | EP | claimed |
| WO-2001058875-A2 | SUBSTITUTED 1,2,3,4- TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID DERIVATIVES | Grünenthal GmbH (DE) | 2001-08-16 | — | — | WO | claimed |
| EP-1254118-A2 | SUBSTITUTED 1,2,3,4- TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID DERIVATIVES | Grünenthal GmbH (DE) | 2002-11-06 | — | — | EP | disclosed |
| WO-2001058875-A2 | SUBSTITUTED 1,2,3,4- TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID DERIVATIVES | Grünenthal GmbH (DE) | 2001-08-16 | — | — | WO | disclosed |