Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.61 |
| ▸ | HPGD | P15428 | 3/20 | 0.61 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.61 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.61 |
| ▸ | NPC1 | O15118 | 2/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 7/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12517352 | 1.00 | ALDH1A1 (0.61) | ALDH1A1HPGDNPSR1ALOX15NPC1 | |
| SCHEMBL2227565 | 0.88 | ALDH1A1 (0.65) | ALDH1A1HPGDNPSR1ALOX15NPC1 | |
| SCHEMBL12517349 | 0.86 | ALDH1A1 (0.78) | ALDH1A1HPGDNPSR1ALOX15NPC1 | |
| SCHEMBL2228146 | 0.86 | ALDH1A1 (0.78) | ALDH1A1HPGDNPSR1ALOX15NPC1 | |
| SCHEMBL12517347 | 0.82 | ALDH1A1 (0.63) | ALDH1A1HPGDNPSR1ALOX15NPC1 | |
| Hydrochloric Acid SCHEMBL2227850 | 0.82 | ALDH1A1 (0.62) | ALDH1A1HPGDNPSR1ALOX15NPC1 | |
| SCHEMBL2219259 | 0.74 | ALDH1A1 (0.60) | ALDH1A1HPGDNPSR1ALOX15NPC1 | |
| SCHEMBL2219266 | 0.74 | ALDH1A1 (0.60) | ALDH1A1HPGDNPSR1ALOX15NPC1 | |
| SCHEMBL2226634 | 0.74 | ALDH1A1 (0.52) | ALDH1A1HPGDNPSR1ALOX15NPC1 | |
| SCHEMBL2227626 | 0.72 | ALDH1A1 (0.74) | ALDH1A1HPGDNPSR1ALOX15NPC1 |
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-2011089457-A1 | NOVEL MEDICINAL COMPOUNDS | URATIM GYÁRTÓ KORLÁTOLT FELELŐSSÉGŰ TÁRSASÁG (HU) | 2011-07-28 | — | — | WO | disclosed |