Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.63 |
| ▸ | HTT | P42858 | 2/20 | 0.63 |
| ▸ | TSHR | P16473 | 1/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.61 |
| ▸ | POLB | P06746 | 1/20 | 0.61 |
| ▸ | HTR6 | P50406 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 4/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | CASP1 | P29466 | 1/20 | 0.51 |
| ▸ | CASP7 | P55210 | 1/20 | 0.51 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | AHR | P35869 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | KRAS | P01116 | 1/20 | 0.47 |
| ▸ | GFER | P55789 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9780083 | 0.81 | HTT (0.69) | ALDH1A1HTTTSHRKDM4EPOLB | |
| SCHEMBL31222284 | 0.80 | ALDH1A1 (0.58) | ALDH1A1HTTTSHRKDM4EPOLB | |
| SCHEMBL8722151 | 0.79 | KDM4E (0.70) | ALDH1A1HTTTSHRKDM4EPOLB | |
| SCHEMBL8552151 | 0.79 | ALDH1A1 (0.71) | ALDH1A1HTTTSHRKDM4EPOLB | |
| SCHEMBL28138965 | 0.79 | ALDH1A1 (0.71) | ALDH1A1HTTTSHRKDM4EPOLB | |
| SCHEMBL1424220 | 0.77 | ALDH1A1 (0.69) | ALDH1A1HTTTSHRKDM4EPOLB | |
| SCHEMBL7844388 | 0.77 | ALDH1A1 (1.00) | ALDH1A1HTTTSHRKDM4EPOLB | |
| SCHEMBL8998008 | 0.77 | KDM4E (0.72) | ALDH1A1HTTTSHRKDM4EPOLB | |
| SCHEMBL29415611 | 0.77 | ALDH1A1 (0.69) | ALDH1A1HTTTSHRKDM4EPOLB | |
| SCHEMBL7844138 | 0.77 | HTT (0.69) | ALDH1A1HTTTSHRKDM4EPOLB |
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-2017117581-A1 | TRYPTAMINE-BASED SHIP INHIBITORS FOR THE TREATMENT OF CANCER | THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) | 2017-07-06 | — | — | WO | disclosed |