Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL21099718 | 0.86 | CYP1A2 (0.32) | KMT2ACYP1A2CYP2C19 | |
| SCHEMBL20111004 | 0.73 | MGMT (0.35) | KMT2ACYP1A2CYP2C19MEN1NPC1 | |
| SCHEMBL19295943 | 0.72 | MGMT (0.37) | KMT2ACYP1A2CYP2C19MEN1NPC1 | |
| SCHEMBL19302660 | 0.70 | — | — | |
| SCHEMBL24029347 | 0.68 | KMT2A (0.38) | KMT2ACYP1A2CYP2C19MEN1NPC1 | |
| SCHEMBL22138141 | 0.67 | KMT2A (0.36) | KMT2ACYP1A2CYP2C19MEN1 | |
| SCHEMBL20988715 | 0.65 | KMT2A (0.35) | KMT2ACYP1A2CYP2C19MEN1NPC1 | |
| SCHEMBL18818745 | 0.64 | MGMT (0.37) | KMT2ACYP1A2CYP2C19MEN1NPC1 | |
| SCHEMBL22209541 | 0.64 | CYP1A2 (0.33) | KMT2ACYP1A2CYP2C19 | |
| SCHEMBL19734913 | 0.63 | CYP1A2 (0.33) | KMT2ACYP1A2CYP2C19ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20190046690-A9 | MATERIALS WITH IMPROVED PROPERTIES | THE CHILDREN'S MEDICAL CENTER CORPORATION | 2019-02-14 | — | — | US | disclosed |
| US-20180117216-A1 | MATERIALS WITH IMPROVED PROPERTIES | MASSACHUSETTS INST TECHNOLOGY (US) | 2018-05-03 | — | — | US | disclosed |