Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.45 |
| ▸ | HTT | P42858 | 5/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.45 |
| ▸ | LMNA | P02545 | 4/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.45 |
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | ATM | Q13315 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 2/20 | 0.45 |
| ▸ | CES1 | P23141 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4901316 | 1.00 | CYP1A2 (0.49) | CYP1A2CYP2C19ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL4901313 | 1.00 | CYP1A2 (0.49) | CYP1A2CYP2C19ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL1186125 | 0.85 | HTT (0.44) | CYP1A2CYP2C19ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL1186128 | 0.85 | HTT (0.44) | CYP1A2CYP2C19ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL425120 | 0.83 | HTT (0.61) | CYP1A2CYP2C19ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL11289683 | 0.83 | POLB (0.61) | CYP1A2CYP2C19ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL11290394 | 0.83 | RAB9A (0.51) | ALDH1A1HTTSMN1; SMN2LMNANPSR1 | |
| SCHEMBL446955 | 0.83 | HTT (0.61) | CYP1A2CYP2C19ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL1438908 | 0.83 | RAB9A (0.51) | ALDH1A1HTTSMN1; SMN2LMNANPSR1 | |
| SCHEMBL11289686 | 0.83 | POLB (0.61) | CYP1A2CYP2C19ALDH1A1HTTSMN1; SMN2 |
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-2010074588-A2 | PHARMACEUTICAL COMPOUNDS | BIAL - PORTELA & Cª, S.A. (PT) | 2010-07-01 | — | — | WO | disclosed |