Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | KDM4A | O75164 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5604684 | 0.92 | MAOB (0.53) | MAOBALDH1A1TSHRHTTCES2 | |
| SCHEMBL5583251 | 0.86 | MAOB (0.53) | MAOBALDH1A1TSHRHTTNPC1 | |
| SCHEMBL13883939 | 0.81 | MAOB (0.51) | MAOBALDH1A1TSHRHTTNPC1 | |
| SCHEMBL5583377 | 0.78 | MAOB (0.57) | MAOBALDH1A1TSHRHTTNPC1 | |
| SCHEMBL602067 | 0.77 | MAOB (0.55) | MAOBALDH1A1TSHRHTTNPC1 | |
| SCHEMBL602068 | 0.77 | MAOB (0.55) | MAOBALDH1A1TSHRHTTNPC1 | |
| SCHEMBL10401047 | 0.77 | CA2 (0.49) | MAOBALDH1A1TSHRHTTL3MBTL1 | |
| SCHEMBL20548567 | 0.77 | MAOB (0.56) | MAOBALDH1A1TSHRHTTNPC1 | |
| SCHEMBL7603661 | 0.76 | GPR35 (0.42) | MAOBALDH1A1TSHRHTTCES2 | |
| SCHEMBL258506 | 0.76 | ALDH1A1 (0.56) | MAOBALDH1A1TSHRHTTNPC1 |
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-2000066259-A1 | METHOD AND APPARATUS FOR COMBINATORIAL CHEMISTRY | UT-BATTELLE, LLC (US) | 2000-11-09 | — | — | WO | claimed |