Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR4 | O00206 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | F2 | P00734 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | ACACB | O00763 | 4/20 | 0.34 |
| ▸ | ACACA | Q13085 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.33 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10347409 | 1.00 | TLR4 (0.36) | TLR4HPGDALDH1A1F2GLA | |
| SCHEMBL10347410 | 1.00 | TLR4 (0.36) | TLR4HPGDALDH1A1F2GLA | |
| SCHEMBL10347437 | 0.93 | HPGD (0.34) | HPGDALDH1A1F2GLAACACB | |
| SCHEMBL10347436 | 0.93 | HPGD (0.34) | HPGDALDH1A1F2GLAACACB | |
| SCHEMBL10347439 | 0.93 | HPGD (0.34) | HPGDALDH1A1F2GLAACACB | |
| SCHEMBL10347379 | 0.89 | KMT2A (0.36) | TLR4ALDH1A1CYP2C9ACACBACACA | |
| SCHEMBL10347380 | 0.89 | KMT2A (0.36) | TLR4ALDH1A1CYP2C9ACACBACACA | |
| SCHEMBL10347378 | 0.89 | KMT2A (0.36) | TLR4ALDH1A1CYP2C9ACACBACACA | |
| SCHEMBL10347544 | 0.88 | KMT2A (0.37) | TLR4ALDH1A1GLACYP2C9ACACB | |
| SCHEMBL10347542 | 0.88 | KMT2A (0.37) | TLR4ALDH1A1GLACYP2C9ACACB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0365641-A1 | PYRIDINE DERIVATIVES | MERCK PATENT GmbH (DE) | 1990-05-02 | — | — | EP | disclosed |
| WO-1989010356-A1 | PYRIDINE DERIVATIVES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1989-11-02 | — | — | WO | disclosed |