Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | THRA | P10827 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | ESRRB | O95718 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.36 |
| ▸ | WNT3A | P56704 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9733772 | 0.83 | KMT2A (0.54) | ALDH1A1KMT2ALMNAHSD17B10TSHR | |
| SCHEMBL10792559 | 0.80 | ALDH1A1 (0.46) | ALDH1A1MAPTHSD17B10THRATHRB | |
| SCHEMBL9780278 | 0.80 | HAO1 (0.51) | ALDH1A1KMT2AMAPTLMNAMMP1 | |
| SCHEMBL11312872 | 0.78 | CA1 (0.50) | ALDH1A1KMT2AMAPTHTTHSD17B10 | |
| SCHEMBL377862 | 0.77 | CYP4F2 (0.51) | ALDH1A1KMT2AMAPTLMNAL3MBTL1 | |
| SCHEMBL9733852 | 0.76 | ALDH1A1 (0.37) | ALDH1A1KMT2AMAPTHTTMEN1 | |
| SCHEMBL20244667 | 0.75 | ALDH1A1 (0.53) | ALDH1A1KMT2AMAPTLMNAHTT | |
| SCHEMBL2305014 | 0.74 | HSD17B3 (0.60) | ALDH1A1KMT2AMAPTLMNAMMP1 | |
| SCHEMBL8535748 | 0.74 | KMT2A (0.63) | ALDH1A1KMT2AMAPTLMNAMMP1 | |
| SCHEMBL8165291 | 0.73 | ALDH1A1 (0.45) | ALDH1A1MAPTHTTL3MBTL1POLB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4761425-A | ANTIASTHMATICS; ANTIALLERGENS, ANTIINFLAMMATORY AGENTS | MERCK FROSST CANADA, INC. (CA) | 1988-08-02 | — | — | US | disclosed |
| EP-0147217-A2 | Leukotriene antagonists | MERCK FROSST CANADA INC. (CA) | 1985-07-03 | — | — | EP | disclosed |