Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.60 |
| ▸ | HPGD | P15428 | 3/20 | 0.60 |
| ▸ | NPC1 | O15118 | 2/20 | 0.60 |
| ▸ | TSHR | P16473 | 4/20 | 0.60 |
| ▸ | HTT | P42858 | 4/20 | 0.58 |
| ▸ | MEN1 | O00255 | 4/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.57 |
| ▸ | MAPT | P10636 | 5/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.56 |
| ▸ | RAB9A | P51151 | 3/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | CA12 | O43570 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.56 |
| ▸ | CA9 | Q16790 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | THRB | P10828 | 1/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL22516252 | 1.00 | ALDH1A1 (0.60) | ALDH1A1HPGDNPC1TSHRHTT | |
| SCHEMBL22516282 | 0.88 | HTT (0.62) | ALDH1A1TSHRHTTMEN1KMT2A | |
| SCHEMBL22516280 | 0.87 | ALDH1A1 (0.60) | ALDH1A1TSHRHTTMEN1KMT2A | |
| SCHEMBL29375406 | 0.87 | ALDH1A1 (0.60) | ALDH1A1TSHRHTTMEN1KMT2A | |
| SCHEMBL22516189 | 0.87 | ALDH1A1 (0.60) | ALDH1A1TSHRHTTMEN1KMT2A | |
| SCHEMBL22516307 | 0.84 | ALDH1A1 (0.56) | ALDH1A1TSHRHTTMEN1KMT2A | |
| SCHEMBL22516210 | 0.82 | CA1 (0.65) | ALDH1A1HPGDNPC1MEN1KMT2A | |
| SCHEMBL17740305 | 0.82 | MAPT (0.67) | ALDH1A1HPGDNPC1HTTMEN1 | |
| SCHEMBL22516273 | 0.81 | ALDH1A1 (0.71) | ALDH1A1NPC1TSHRHTTMEN1 | |
| SCHEMBL13241795 | 0.80 | ALDH1A1 (0.66) | ALDH1A1TSHRHTTMEN1KMT2A |
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-3946301-A1 | REMODILINS FOR AIRWAY REMODELING AND ORGAN FIBROSIS | The University of Chicago (US) | 2022-02-09 | — | — | EP | disclosed |