Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | PER2 | O15055 | 1/20 | 0.31 |
| ▸ | CRY1 | Q16526 | 1/20 | 0.31 |
| ▸ | CRY2 | Q49AN0 | 1/20 | 0.31 |
| ▸ | VDR | P11473 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.30 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9912917 | 0.94 | SIGMAR1 (0.37) | SIGMAR1DHFRCYP1A2CYP2A6MAPT | |
| SCHEMBL9912910 | 0.92 | SIGMAR1 (0.37) | SIGMAR1DHFRCYP1A2CYP2A6MAPT | |
| SCHEMBL9912950 | 0.92 | DHFR (0.33) | SIGMAR1DHFRCYP1A2CYP2A6 | |
| SCHEMBL9912942 | 0.90 | SIGMAR1 (0.35) | SIGMAR1DHFRKDM4E | |
| SCHEMBL9912974 | 0.89 | SIGMAR1 (0.36) | SIGMAR1DHFRCYP1A2CYP2A6MAPT | |
| SCHEMBL9912975 | 0.89 | SIGMAR1 (0.36) | SIGMAR1DHFRCYP1A2CYP2A6MAPT | |
| SCHEMBL9912918 | 0.87 | SIGMAR1 (0.34) | SIGMAR1DHFRCYP1A2CYP2A6KDM4E | |
| SCHEMBL9912958 | 0.86 | ACHE (0.32) | SIGMAR1MAPTKDM4EUSP2ALDH1A1 | |
| SCHEMBL9912949 | 0.85 | TDP1 (0.38) | SIGMAR1CYP1A2CYP2A6MAPTLMNA | |
| SCHEMBL9912952 | 0.85 | KMT2A (0.36) | MAPTKDM4EALDH1A1HPGDHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-8198801-B2 | Materials for injecting or transporting holes and organic electroluminescence devices using the same | LG CHEM, LTD. (KR) | 2012-06-12 | — | — | US | disclosed |
| US-8198801-B2 | Materials for injecting or transporting holes and organic electroluminescence devices using the same | LG CHEM, LTD. (KR) | 2012-06-12 | — | — | US | disclosed |