Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 2/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | APEX1 | P27695 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9536087 | 0.86 | HRH3 (0.34) | CTSK | |
| SCHEMBL9537132 | 0.86 | L3MBTL1 (0.44) | TAAR1KMT2ACTSSCTSKTDP1 | |
| SCHEMBL14326997 | 0.81 | TAAR1 (0.50) | TAAR1AOC3KDM1AHDAC8HDAC6 | |
| SCHEMBL25047640 | 0.80 | TAAR1 (0.40) | TAAR1AOC3KDM1AHDAC8HDAC6 | |
| SCHEMBL970155 | 0.80 | AOC3 (0.50) | TAAR1AOC3KDM1AHDAC8HDAC6 | |
| SCHEMBL9533718 | 0.79 | LTB4R (0.54) | — | |
| SCHEMBL2733417 | 0.78 | TAAR1 (0.37) | TAAR1KMT2ACTSSCTSKPOLB | |
| SCHEMBL9536343 | 0.78 | L3MBTL1 (0.45) | AOC3CHRM1KMT2APOLB | |
| SCHEMBL31407335 | 0.77 | TAAR1 (0.41) | TAAR1AOC3CHRM5CHRM1CHRM3 | |
| SCHEMBL2257781 | 0.77 | AOC3 (0.43) | TAAR1AOC3CHRM5CHRM1CHRM3 |
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-0532693-A1 | 1,4-DIAMINO-2,3-DIHYDROXYBUTANES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-03-24 | — | — | EP | disclosed |