Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15372074 | 0.89 | ALDH1A1 (0.50) | TAAR1HSD17B10CYP3A4TDP1ALDH1A1 | |
| SCHEMBL21763039 | 0.86 | TAAR1 (0.48) | TAAR1HSD17B10CYP3A4TDP1ALDH1A1 | |
| SCHEMBL18960516 | 0.86 | TAAR1 (0.48) | TAAR1HSD17B10CYP3A4TDP1ALDH1A1 | |
| SCHEMBL21763283 | 0.86 | TAAR1 (0.48) | TAAR1HSD17B10CYP3A4TDP1ALDH1A1 | |
| SCHEMBL21763036 | 0.85 | MAOA (0.45) | TAAR1HSD17B10CYP3A4TDP1ALDH1A1 | |
| SCHEMBL25058949 | 0.80 | MAOA (0.48) | TAAR1HSD17B10CYP3A4TDP1ALDH1A1 | |
| SCHEMBL21787892 | 0.80 | ALDH1A1 (0.54) | TAAR1HSD17B10CYP3A4TDP1ALDH1A1 | |
| SCHEMBL7637954 | 0.78 | TAAR1 (0.41) | TAAR1HSD17B10CYP3A4TDP1ALDH1A1 | |
| SCHEMBL21763095 | 0.78 | MEN1 (0.44) | TAAR1HSD17B10CYP3A4TDP1ALDH1A1 | |
| SCHEMBL21763045 | 0.78 | ESR1 (0.52) | HSD17B10ALDH1A1KDM4EMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3369719-B1 | SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME | LG CHEMICAL LTD (KR) | 2020-02-26 | — | — | EP | disclosed |