Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.59 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.59 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.59 |
| ▸ | FLT3 | P36888 | 1/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.52 |
| ▸ | CTSL | P07711 | 1/20 | 0.51 |
| ▸ | CTSS | P25774 | 1/20 | 0.51 |
| ▸ | CTSK | P43235 | 1/20 | 0.51 |
| ▸ | PYGL | P06737 | 1/20 | 0.49 |
| ▸ | CFD | P00746 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL5827084 | 0.81 | PDE2A (0.58) | KDM4EALDH1A1LMNAGAA | |
| SCHEMBL2703655 | 0.81 | PDE2A (0.58) | KDM4EALDH1A1LMNAGAA | |
| SCHEMBL19709261 | 0.81 | PDE2A (0.58) | KDM4EALDH1A1LMNAGAA | |
| SCHEMBL10039780 | 0.81 | PDE2A (0.55) | PDGFRBPDGFRALMNAGAA | |
| SCHEMBL10039649 | 0.80 | PYGL (0.53) | CYP2C9FLT3HDAC1PYGLLMNA | |
| SCHEMBL10039687 | 0.80 | CASR (0.67) | KDM4EALDH1A1CYP1A2CYP2C9HPGD | |
| SCHEMBL5114489 | 0.79 | KDM4E (0.75) | KDM4EALDH1A1CYP1A2CYP2C9HPGD | |
| SCHEMBL17149637 | 0.78 | KDM4E (0.55) | KDM4EALDH1A1CYP1A2CYP2C9HPGD | |
| SCHEMBL10039604 | 0.78 | MEN1 (0.56) | KDM4EALDH1A1PDGFRBPDGFRAFLT3 | |
| SCHEMBL17149840 | 0.78 | PDGFRB (0.61) | KDM4EALDH1A1CYP1A2CYP2C9HPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012084971-A1 | INDOLE DERIVATIVES AS AGENTS AGAINST GRAM-NEGATIVE AND GRAM-POSITIVE BACTERIA | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2012-06-28 | — | — | WO | disclosed |
| WO-2012084971-A1 | INDOLE DERIVATIVES AS AGENTS AGAINST GRAM-NEGATIVE AND GRAM-POSITIVE BACTERIA | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2012-06-28 | — | — | WO | disclosed |