Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | MECP2 | P51608 | 1/20 | 0.35 |
| ▸ | MBD2 | Q9UBB5 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18544961 | 0.91 | CYP2A6 (0.34) | CYP2A6IDO1MECP2MBD2ALDH1A1 | |
| SCHEMBL19452556 | 0.81 | MEN1 (0.34) | ALDH1A1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL23018228 | 0.80 | NR1H4 (0.34) | ALDH1A1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL19452539 | 0.80 | MEN1 (0.33) | ALDH1A1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL19452560 | 0.78 | ALDH1A1 (0.39) | ALDH1A1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL23018313 | 0.78 | HSD17B1 (0.33) | ALDH1A1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL22418184 | 0.76 | TYMS (0.34) | ALDH1A1HSD17B10CYP3A4CASP1 | |
| SCHEMBL19452557 | 0.76 | KDM4E (0.39) | MECP2MBD2ALDH1A1MAPTKDM4E | |
| SCHEMBL18544839 | 0.74 | ALDH1A1 (0.36) | ALDH1A1MEN1KMT2ANPC1HPGD | |
| SCHEMBL18814755 | 0.73 | MEN1 (0.32) | ALDH1A1MAPTMEN1KMT2AHPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017175986-A1 | ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) | 2017-10-12 | — | — | WO | disclosed |