Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.66 |
| ▸ | MEN1 | O00255 | 1/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.66 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.66 |
| ▸ | DRD1 | P21728 | 8/20 | 0.56 |
| ▸ | DRD2 | P14416 | 4/20 | 0.56 |
| ▸ | KIF11 | P52732 | 1/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | DRD5 | P21918 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | ADCY6 | O43306 | 1/20 | 0.44 |
| ▸ | ADCY3 | O60266 | 1/20 | 0.44 |
| ▸ | ADCY9 | O60503 | 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 | |
|---|---|---|---|---|
| SCHEMBL22445614 | 0.81 | DRD1 (0.68) | CYP3A4MEN1CYP2D6KMT2ADRD1 | |
| SCHEMBL29360265 | 0.81 | DRD1 (0.68) | CYP3A4MEN1CYP2D6KMT2ADRD1 | |
| SCHEMBL22461447 | 0.81 | CYP3A4 (0.66) | CYP3A4MEN1CYP2D6KMT2ADRD1 | |
| SCHEMBL980093 | 0.81 | MEN1 (0.75) | CYP3A4MEN1CYP2D6KMT2ADRD1 | |
| SCHEMBL1076323 | 0.80 | CYP3A4 (1.00) | CYP3A4MEN1CYP2D6KMT2ADRD1 | |
| SCHEMBL15096889 | 0.80 | CYP3A4 (1.00) | CYP3A4MEN1CYP2D6KMT2ADRD1 | |
| SCHEMBL11639387 | 0.78 | MEN1 (0.60) | CYP3A4MEN1CYP2D6KMT2ADRD1 | |
| SCHEMBL29356733 | 0.78 | MEN1 (0.60) | CYP3A4MEN1CYP2D6KMT2ADRD1 | |
| SCHEMBL8905689 | 0.76 | SLC6A2 (0.42) | CYP3A4MEN1CYP2D6KMT2ASLC6A2 | |
| SCHEMBL9764701 | 0.76 | DRD1 (0.70) | CYP3A4CYP2D6DRD1DRD2TAAR1 |
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-2006086545-A2 | METHOD TO IDENTIFY NOVEL THERAPEUTICS | DESIMONE ROBERT W (US) | 2006-08-17 | — | — | WO | claimed |
| WO-2006086545-A2 | METHOD TO IDENTIFY NOVEL THERAPEUTICS | DESIMONE ROBERT W (US) | 2006-08-17 | — | — | WO | disclosed |