Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESRRG | P62508 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7361543 | 0.78 | MAOA (0.46) | TSHRKMT2AMEN1 | |
| SCHEMBL7369705 | 0.78 | TSHR (0.50) | TSHRKMT2AMEN1CES2CES1 | |
| SCHEMBL9130252 | 0.75 | MEN1 (0.36) | CTSSCTSLCTSBKMT2AMEN1 | |
| SCHEMBL7362256 | 0.71 | TSHR (0.44) | TSHRKMT2ACES2CES1AKR1B1 | |
| SCHEMBL23981726 | 0.68 | MEN1 (0.39) | CTSSCTSLCTSBKMT2AMEN1 | |
| SCHEMBL2161768 | 0.68 | ESR1 (0.40) | CTSSCTSLCTSBKMT2ACES2 | |
| SCHEMBL181369 | 0.68 | MEN1 (0.52) | MAOBKMT2AMEN1 | |
| SCHEMBL11908722 | 0.66 | TSHR (0.47) | TSHRKMT2AMEN1CES2CES1 | |
| Hydrochloric Acid SCHEMBL9324490 | 0.66 | MEN1 (0.50) | MAOBKMT2AMEN1 | |
| SCHEMBL1162643 | 0.66 | MAOA (0.52) | MAOBKMT2AMEN1 |
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-0532693-A1 | 1,4-DIAMINO-2,3-DIHYDROXYBUTANES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-03-24 | — | — | EP | disclosed |