Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.62 |
| ▸ | HTT | P42858 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.60 |
| ▸ | GAA | P10253 | 1/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | NPC1 | O15118 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL17502702 | 0.97 | KMT2A (0.65) | ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL29944079 | 0.95 | KMT2A (0.63) | ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL18215257 | 0.95 | KMT2A (0.63) | ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL27725392 | 0.88 | ALOX15 (0.69) | ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL17502638 | 0.85 | KMT2A (0.65) | ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL23409102 | 0.84 | ALDH1A1 (0.70) | ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL29944101 | 0.84 | TSHR (0.67) | ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL13770253 | 0.83 | ALDH1A1 (0.55) | ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL2100428 | 0.83 | KDM4E (0.47) | ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL14758418 | 0.83 | TSHR (0.82) | ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19 |
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-2016179558-A1 | K-RAS MODULATORS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2016-11-10 | — | — | WO | disclosed |