Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.45 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.45 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | F2R | P25116 | 1/20 | 0.44 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.44 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8526218 | 0.76 | NPY1R (0.48) | — | |
| SCHEMBL8528256 | 0.73 | CHRND (0.45) | — | |
| SCHEMBL8583795 | 0.72 | KDM4E (0.43) | KDM4EHSD17B10DRD2ALDH1A1GAA | |
| Hydrochloric Acid SCHEMBL6290947 | 0.72 | HDAC1 (0.57) | KDM4EHSD17B10MCHR1HDAC1HDAC6 | |
| SCHEMBL4921202 | 0.70 | TAS1R3 (0.60) | KDM4EHSD17B10DRD2TAS1R3TAS1R1 | |
| SCHEMBL10700826 | 0.70 | F2R (0.60) | F2RPTGER4PYGLCCKBR | |
| SCHEMBL4920393 | 0.68 | TAS1R3 (0.61) | KDM4EDRD2TAS1R3TAS1R1ALDH1A1 | |
| SCHEMBL9199366 | 0.66 | TLR2 (0.33) | ALDH1A1 | |
| SCHEMBL4915072 | 0.66 | TAS1R3 (0.57) | KDM4EHDAC1HDAC6HDAC3HDAC4 | |
| SCHEMBL7560327 | 0.66 | PTGER4 (0.68) | F2RPTGER4PYGLCCKBR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0885186-A1 | AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM | Dr. Karl Thomae GmbH (DE) | 1998-12-23 | — | — | EP | disclosed |
| WO-1997019911-A1 | AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM | DR. KARL THOMAE GMBH (DE) | 1997-06-05 | — | — | WO | disclosed |