Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | KAT2B | Q92831 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7259696 | 0.80 | ALDH1A1 (0.61) | TSHRALDH1A1HPGDRAB9ANPC1 | |
| SCHEMBL25786902 | 0.79 | ALDH1A1 (0.60) | TSHRCYP3A4ALDH1A1HPGDKAT2B | |
| SCHEMBL7254890 | 0.75 | TSHR (0.43) | TSHRCYP3A4ALDH1A1RAB9ANPC1 | |
| SCHEMBL12737470 | 0.74 | TSHR (0.60) | TSHRCYP3A4ALDH1A1KAT2BRAB9A | |
| SCHEMBL7088682 | 0.73 | TSHR (0.64) | TSHRCYP3A4ALDH1A1KAT2BRAB9A | |
| SCHEMBL7255033 | 0.73 | TSHR (0.41) | TSHRCYP3A4ALDH1A1RAB9ANPC1 | |
| SCHEMBL31238970 | 0.72 | TSHR (0.58) | TSHRCYP3A4ALDH1A1KAT2BRAB9A | |
| SCHEMBL95376 | 0.72 | TSHR (0.62) | TSHRCYP3A4ALDH1A1HPGDKAT2B | |
| Ammonia Solution, Strong SCHEMBL27701389 | 0.71 | TSHR (0.56) | TSHRCYP3A4ALDH1A1KAT2BRAB9A | |
| SCHEMBL4034840 | 0.71 | TSHR (0.60) | TSHRCYP3A4ALDH1A1KAT2BRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003029188-A2 | BETA-SUBSTITUTED NITROSTYRENE AND CYANOSTYRENE COMPOUNDS AND THEIR USE AS NEMATICIDES AND FUNGICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2003-04-10 | — | — | WO | claimed |
| WO-2003029188-A2 | BETA-SUBSTITUTED NITROSTYRENE AND CYANOSTYRENE COMPOUNDS AND THEIR USE AS NEMATICIDES AND FUNGICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2003-04-10 | — | — | WO | disclosed |