Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 5/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.32 |
| ▸ | ACP1 | P24666 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | CBFB | Q13951 | 1/20 | 0.31 |
| ▸ | HTR6 | P50406 | 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 | |
|---|---|---|---|---|
| SCHEMBL4593094 | 0.77 | KMT2A (0.48) | LMNASMN1; SMN2ALDH1A1KMT2AKDM4E | |
| SCHEMBL3796418 | 0.71 | SLC6A2 (0.49) | SLC6A2SLC6A4SLC6A3HTR6 | |
| SCHEMBL1887877 | 0.69 | CA12 (0.39) | SLC6A2SLC6A4SLC6A3CYP2D6HTR6 | |
| SCHEMBL28440794 | 0.69 | SLC6A2 (0.41) | SLC6A2SLC6A4SLC6A3CYP2D6SMN1; SMN2 | |
| SCHEMBL2988535 | 0.67 | S1PR1 (0.42) | CYP3A4CYP2C19 | |
| SCHEMBL2976716 | 0.66 | BRD4 (0.36) | SLC6A2SLC6A4SLC6A3CYP2D6KMT2A | |
| SCHEMBL1890474 | 0.66 | SLC6A4 (0.41) | SLC6A2SLC6A4SLC6A3CYP2D6ALDH1A1 | |
| SCHEMBL2985975 | 0.65 | ALOX5AP (0.40) | SMN1; SMN2MAPT | |
| SCHEMBL1714647 | 0.64 | HTR2C (0.41) | ALDH1A1HTR6 | |
| SCHEMBL5222798 | 0.63 | KDM4E (0.61) | LMNASMN1; SMN2ALDH1A1KMT2AKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-1807398-B1 | NEW INDOLE OR BENZIMIDAZOLE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2008-06-25 | — | — | EP | disclosed |