Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | GPR3 | P46089 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | NCF1 | P14598 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL149537 | 0.88 | KDM4E (0.46) | EGFRKDM4EGPR3CYP1A2ALDH1A1 | |
| SCHEMBL29666411 | 0.88 | KDM4E (0.46) | EGFRKDM4EGPR3CYP1A2ALDH1A1 | |
| SCHEMBL30100747 | 0.88 | KDM4E (0.46) | EGFRKDM4EGPR3CYP1A2ALDH1A1 | |
| Formaldehyde SCHEMBL27640099 | 0.86 | KDM4E (0.42) | EGFRKDM4EGPR3CYP1A2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL10524097 | 0.86 | KDM4E (0.45) | EGFRKDM4EGPR3CYP1A2ALDH1A1 | |
| Biphenyl SCHEMBL28365892 | 0.81 | NPC1 (0.44) | EGFRKDM4EGPR3CYP1A2ALDH1A1 | |
| Valine SCHEMBL9998032 | 0.74 | SLC7A5 (0.42) | KDM4ECYP1A2ALDH1A1SMN1; SMN2RAB9A | |
| SCHEMBL16151415 | 0.72 | SMN1; SMN2 (0.44) | KDM4EGPR3CYP1A2ALDH1A1SMN1; SMN2 | |
| SCHEMBL29520469 | 0.70 | CYP1A2 (0.44) | EGFRKDM4EGPR3CYP1A2ALDH1A1 | |
| Quinoline SCHEMBL22734221 | 0.68 | ALDH1A1 (0.74) | KDM4ECYP1A2ALDH1A1SMN1; SMN2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-20180140578-A1 | METHODS AND COMPOSITIONS FOR THE DIAGNOSIS AND SELECTIVE TREATMENT OF CANCER | BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2018-05-24 | — | — | US | disclosed |