Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HSPA1A | P0DMV8 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9683216 | 0.80 | TSHR (0.35) | NPC1ALDH1A1KMT2AMEN1MAPT | |
| SCHEMBL9683566 | 0.71 | NPSR1 (0.33) | NPC1TDP1ALDH1A1KMT2AMEN1 | |
| SCHEMBL23783489 | 0.66 | ALDH1A1 (0.33) | ALDH1A1MAPT | |
| SCHEMBL8069408 | 0.64 | HDAC4 (0.38) | ALDH1A1KMT2AMEN1MAPTSMN1; SMN2 | |
| SCHEMBL9683488 | 0.63 | GRIN2B (0.40) | TDP1 | |
| SCHEMBL10442497 | 0.62 | ESR1 (0.71) | ESR1ESR2TDP1ALDH1A1KMT2A | |
| SCHEMBL775484 | 0.62 | CES2 (0.65) | RAB9ANPC1TDP1CES2CES1 | |
| SCHEMBL6554993 | 0.62 | LMNA (0.74) | RAB9ANPC1TDP1CES2CES1 | |
| SCHEMBL28171829 | 0.61 | CES2 (0.63) | RAB9ANPC1TDP1CES2CES1 | |
| SCHEMBL24944860 | 0.60 | OPRM1 (0.47) | RAB9ANPC1TDP1CES2CES1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5089590-A | LIQUID CRYSTALLINE COMPOUNDS, THEIR PRODUCTION AND THEIR USE AS MODIFIERS FOR POLYCARBONATES, POLYESTER CARBONATES AND POLYESTERS | BAYER AKTIENGESELLSCHAFT (DE) | 1992-02-18 | — | — | US | disclosed |
| US-5084549-A | Aromatic polyesters as thermoplastic molding materials | BAYER AKTIENGESELLSCHAFT (DE) | 1992-01-28 | — | — | US | disclosed |
| EP-0354347-A2 | Liquid crystal compounds,their manufacture as modifiers for polycarbonates,polyestercarbonates and polyesters | BAYER AG (DE) | 1990-02-14 | — | — | EP | disclosed |