Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH3A1 | P30838 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 5/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.40 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28309320 | 0.73 | KDM4E (0.50) | ALDH3A1LMNAHTTKDM4ENPSR1 | |
| SCHEMBL970051 | 0.72 | PDE10A (0.73) | PDE10APDE2A | |
| SCHEMBL899882 | 0.72 | CYP17A1 (0.44) | SLC22A12CYP1A2 | |
| SCHEMBL10304940 | 0.63 | SLC22A12 (0.49) | KDM4ETSHRSLC22A12MEN1CYP1A2 | |
| SCHEMBL23142381 | 0.63 | ALDH1A1 (0.39) | ALDH3A1LMNAHTTKDM4ENPSR1 | |
| SCHEMBL6510175 | 0.63 | KDM4E (0.62) | LMNAHTTKDM4ENPSR1PKM | |
| SCHEMBL27892845 | 0.63 | GSK3B (0.48) | LMNAKDM4ETSHRSLC22A12GAA | |
| SCHEMBL970311 | 0.63 | PDE10A (0.81) | PDE10APDE2A | |
| SCHEMBL28444457 | 0.62 | SLC22A12 (0.76) | LMNASLC22A12CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL28116715 | 0.61 | ALDH3A1 (0.55) | ALDH3A1LMNAHTTKDM4ETSHR |
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-2621913-A1 | SUBSTITUTED BENZIMIDAZOLE AND IMIDAZOPYRIDINE COMPOUNDS USEFUL AS CYP17 MODULATORS | Bristol-Myers Squibb Company (US) | 2013-08-07 | — | — | EP | disclosed |
| WO-2012044537-A1 | SUBSTITUTED BENZIMIDAZOLE AND IMIDAZOPYRIDINE COMPOUNDS USEFUL AS CYP17 MODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-04-05 | — | — | WO | disclosed |