Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.64 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.53 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.46 |
| ▸ | LMNA | P02545 | 5/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.43 |
| ▸ | CTSD | P07339 | 1/20 | 0.43 |
| ▸ | MITF | O75030 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL639563 | 1.00 | ALDH1A1 (0.64) | ALDH1A1CYP1A2SLC6A3SLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL27529639 | 0.98 | ALDH1A1 (0.62) | ALDH1A1CYP1A2SLC6A3SLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL4200885 | 0.98 | ALDH1A1 (0.62) | ALDH1A1CYP1A2SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL19555119 | 0.86 | ALDH1A1 (0.50) | ALDH1A1CYP1A2SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL2815738 | 0.85 | ALDH1A1 (0.49) | ALDH1A1CYP1A2SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL1177971 | 0.85 | ALDH1A1 (0.68) | ALDH1A1CYP1A2SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL30473858 | 0.84 | ALDH1A1 (0.49) | ALDH1A1CYP1A2SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL15718166 | 0.84 | ALDH1A1 (0.49) | ALDH1A1CYP1A2SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL25216810 | 0.83 | TSHR (0.51) | ALDH1A1CYP1A2SLC6A3KDM4ELMNA | |
| SCHEMBL2134676 | 0.83 | ALDH1A1 (0.47) | ALDH1A1CYP1A2SLC6A3SLC6A2SLC6A4 |
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-2001062085-A1 | PROTECTED FORMS OF PHARMACOLOGICALLY ACTIVE AGENTS AND USES THEREFOR | MEDINOX, INC. (US) | 2001-08-30 | — | — | WO | disclosed |