Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | TBXA2R | P21731 | 3/20 | 0.41 |
| ▸ | PTGER3 | P43115 | 3/20 | 0.41 |
| ▸ | PTGER2 | P43116 | 3/20 | 0.41 |
| ▸ | PTGDR | Q13258 | 3/20 | 0.41 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.41 |
| ▸ | PTGFR | P43088 | 2/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.40 |
| ▸ | PTGIR | P43119 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MPO | P05164 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10727696 | 0.82 | ALDH1A1 (0.52) | TSHRALDH1A1MAOAMAOBTBXA2R | |
| SCHEMBL31588310 | 0.82 | LMNA (0.52) | TSHRALDH1A1TBXA2RPTGER3PTGER2 | |
| SCHEMBL872046 | 0.82 | LMNA (0.52) | TSHRALDH1A1TBXA2RPTGER3PTGER2 | |
| SCHEMBL28319707 | 0.81 | ALDH1A1 (0.55) | TSHRALDH1A1TBXA2RPTGER3PTGER2 | |
| SCHEMBL8096568 | 0.80 | DAO (0.47) | TSHRDAOTAAR1IDO1CYP3A4 | |
| SCHEMBL17508277 | 0.80 | ALDH1A1 (0.49) | ALDH1A1MAOAMAOBDAOTAAR1 | |
| SCHEMBL20767534 | 0.80 | MEN1 (0.44) | ALDH1A1MAOAMAOBDAOTBXA2R | |
| SCHEMBL2474493 | 0.80 | MEN1 (0.49) | ALDH1A1TAAR1IDO1MEN1LMNA | |
| SCHEMBL8096061 | 0.79 | LTA4H (0.46) | TSHRDAOTAAR1IDO1CYP3A4 | |
| SCHEMBL31236994 | 0.79 | SRC (0.47) | TSHRALDH1A1CYP3A4CYP2D6CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111233599-B | Aromatic ring ortho-iodoalkanone and synthetic method and application thereof | 兰州大学 | 2021-07-20 | — | — | CN | disclosed |
| CN-111233599-A | Aromatic ring ortho-iodoalkanone and synthetic method and application thereof | 兰州大学 | 2020-06-05 | — | — | CN | disclosed |
| WO-2016019588-A1 | OXACAZONE COMPOUNDS TO TREAT CLOSTRIDIUM DIFFICILE | THE BROAD INSTITUTE, INC. (US) | 2016-02-11 | — | — | WO | disclosed |