Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4045617 | 0.77 | ADRB1 (0.36) | CYP1A2KDM4ELMNAKMT2ACYP2D6 | |
| SCHEMBL4036513 | 0.77 | RPS6KB1 (0.40) | CYP1A2ALDH1A1KDM4ELMNAKMT2A | |
| SCHEMBL5391447 | 0.76 | ABCB1 (0.46) | CYP1A2LMNAKMT2ACYP2D6CYP3A4 | |
| SCHEMBL15318323 | 0.76 | CYP1A2 (0.77) | CYP1A2ALDH1A1CYP2C19HRH3KDM4E | |
| SCHEMBL6894985 | 0.75 | CYP1A2 (0.55) | CYP1A2ALDH1A1CYP2C19HRH3KDM4E | |
| SCHEMBL3348729 | 0.75 | CYP1A2 (0.55) | CYP1A2ALDH1A1CYP2C19HRH3KDM4E | |
| SCHEMBL5707323 | 0.75 | CYP1A2 (0.60) | CYP1A2ALDH1A1CYP2C19HRH3KDM4E | |
| SCHEMBL4045258 | 0.74 | NR3C2 (0.41) | KDM4EADRB2ADRB1 | |
| SCHEMBL6742452 | 0.74 | CYP1A2 (0.60) | CYP1A2ALDH1A1CYP2C19HRH3KDM4E | |
| SCHEMBL5219600 | 0.74 | ANPEP (0.46) | CYP1A2ALDH1A1LMNAKMT2ATDP1 |
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 |
|---|---|---|---|---|---|---|---|
| JP-2004502669-A | — | — | 2004-01-29 | — | — | JP | claimed |
| EP-1353898-A2 | COMPOUNDS TO TREAT ALZHEIMER'S DISEASE | Elan Pharmaceuticals, Inc. (US) | 2003-10-22 | — | — | EP | claimed |
| WO-2002002512-A2 | COMPOUNDS TO TREAT ALZHEIMER'S DISEASE | ELAN PHARMACEUTICALS, INC. (US) | 2002-01-10 | — | — | WO | claimed |