Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2319588 | 0.86 | TAAR1 (0.54) | TAAR1CYP2C19HIF1AHDAC3HDAC4 | |
| SCHEMBL27946554 | 0.84 | TAAR1 (0.56) | TAAR1CYP2C19HIF1AMAPK1KIF11 | |
| SCHEMBL3368788 | 0.81 | TAAR1 (0.64) | TAAR1CYP2C19HIF1AMAPK1KIF11 | |
| SCHEMBL598065 | 0.80 | TAAR1 (0.52) | TAAR1MAPK1KIF11CNR2ESR1 | |
| SCHEMBL30018333 | 0.80 | TAAR1 (0.52) | TAAR1CYP2C19HIF1AMAPK1KIF11 | |
| SCHEMBL7159747 | 0.78 | TAAR1 (0.50) | TAAR1CYP2C19HIF1AMAPK1KIF11 | |
| SCHEMBL9453768 | 0.78 | CNR2 (0.54) | TAAR1CNR2 | |
| SCHEMBL6676497 | 0.78 | TAAR1 (0.50) | TAAR1CYP2C19HIF1AMAPK1KIF11 | |
| Hydrogen Peroxide SCHEMBL2318659 | 0.78 | TAAR1 (0.50) | TAAR1KIF11CNR2ESR1ESR2 | |
| SCHEMBL399240 | 0.78 | CNR2 (0.54) | TAAR1CNR2 |
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-5302711-A | Ester cleavage process for use with β-lactams | ELI LILLY AND COMPANY (US) | 1994-04-12 | — | — | US | disclosed |
| EP-0557035-A2 | An ester cleavage process for use with beta-lactams | ELI LILLY AND COMPANY (US) | 1993-08-25 | — | — | EP | disclosed |