Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 7/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.40 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | LPL | P06858 | 1/20 | 0.33 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.33 |
| ▸ | IKBKB | O14920 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
| ▸ | FYN | P06241 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8096908 | 0.70 | MAPT (0.43) | CYP3A4CYP2C9CYP2C19ALDH1A1MAPT | |
| SCHEMBL276590 | 0.67 | — | — | |
| SCHEMBL11456086 | 0.65 | ESR1 (0.43) | CYP3A4ALDH1A1MAPT | |
| SCHEMBL5535944 | 0.65 | NPC1 (0.37) | TDO2LPLLIPGALDH1A1 | |
| SCHEMBL3576853 | 0.65 | CYP2A6 (0.43) | CYP2A6CYP2B6CYP2E1KCNH2TDO2 | |
| SCHEMBL7367379 | 0.64 | CYP2A6 (0.38) | CYP2A6CYP2B6CYP2E1KCNH2TDO2 | |
| SCHEMBL3459789 | 0.64 | CYP2A6 (0.41) | CYP2A6CYP2B6CYP2E1KCNH2TDO2 | |
| SCHEMBL5537893 | 0.62 | AHR (0.40) | CYP3A4ALDH1A1 | |
| Formaldehyde SCHEMBL28680174 | 0.61 | CYP2A6 (0.62) | CYP2A6CYP2B6CYP2E1KCNH2CYP3A4 | |
| SCHEMBL5538900 | 0.61 | KIF11 (0.43) | ALDH1A1MAOB |
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-6063956-A | APPLYING FUNGICIDE OR INSECTICIDE TO THE LOCUS WHERE CONTROL IS DESIRED | ROHM AND HAAS COMPANY (US) | 2000-05-16 | — | — | US | disclosed |
| WO-1990008145-A1 | ANTI-INFLAMMATORY 1-HETEROARYL-3-ACYL-2-OXINDOLES | PFIZER INC. (US) | 1990-07-26 | — | — | WO | disclosed |