Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 5/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 3/20 | 0.40 |
| ▸ | HTR3A | P46098 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 3/20 | 0.39 |
| ▸ | HTR2C | P28335 | 3/20 | 0.39 |
| ▸ | HTR2B | P41595 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | METAP2 | P50579 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 4/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8307179 | 0.85 | HSD17B10 (0.44) | SLC6A2SLC6A4SLC6A3ALDH1A1HTR1A | |
| SCHEMBL3654179 | 0.84 | P2RX7 (0.52) | SLC6A2SLC6A4SLC6A3ALDH1A1HSD11B1 | |
| Hydrochloric Acid SCHEMBL2366300 | 0.84 | HTR1A (0.45) | SLC6A2SLC6A4SLC6A3ALDH1A1HTR1A | |
| SCHEMBL8306413 | 0.82 | HTR1A (0.39) | SLC6A2SLC6A4SLC6A3ALDH1A1HTR1A | |
| Hydrochloric Acid SCHEMBL1662951 | 0.81 | HTR2A (0.41) | SLC6A2SLC6A4SLC6A3ALDH1A1HTR1A | |
| Hydrochloric Acid SCHEMBL1663244 | 0.81 | HTR3A (0.46) | SLC6A2SLC6A4SLC6A3HTR1AHTR3A | |
| SCHEMBL8305437 | 0.80 | MEN1 (0.41) | ALDH1A1HTR1AHTR3ACYP1A2CYP3A4 | |
| SCHEMBL1814949 | 0.78 | ADRB1 (0.56) | SLC6A2SLC6A4SLC6A3HTR2AHTR2C | |
| SCHEMBL10081863 | 0.78 | ALDH1A1 (0.51) | SLC6A2SLC6A4SLC6A3ALDH1A1HSD17B10 | |
| SCHEMBL8305501 | 0.77 | HSD17B10 (0.50) | ALDH1A1CYP3A4CYP2C9HSD17B10METAP2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004082687-A1 | LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-09-30 | — | — | WO | disclosed |