Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16887859 | 0.70 | ALDH1A1 (0.36) | ALDH1A1HPGDKMT2APOLBMEN1 | |
| SCHEMBL1603211 | 0.69 | TDP1 (0.43) | ALDH1A1HPGDKMT2AALOX15MEN1 | |
| SCHEMBL10052277 | 0.69 | MEN1 (0.34) | ALDH1A1HPGDKMT2AMEN1 | |
| SCHEMBL7746557 | 0.68 | ACHE (0.50) | KMT2APOLBNPC1 | |
| SCHEMBL8765553 | 0.68 | ACHE (0.50) | KMT2APOLBNPC1 | |
| SCHEMBL6893687 | 0.65 | ALDH1A1 (0.79) | ALDH1A1KDM4ECHRNB2CHRNB4CHRNA3 | |
| SCHEMBL3804394 | 0.64 | KDM4E (0.45) | ALDH1A1HPGDKDM4EKMT2APOLB | |
| SCHEMBL28033967 | 0.63 | ALDH1A1 (0.34) | ALDH1A1HPGDKMT2AMEN1 | |
| SCHEMBL16887861 | 0.63 | ALDH1A1 (0.40) | ALDH1A1HPGDKDM4EKMT2APOLB | |
| SCHEMBL15630516 | 0.62 | ALDH1A1 (0.36) | ALDH1A1HPGDKMT2APOLBMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4704384-A | BRAIN TUMORS | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1987-11-03 | — | — | US | disclosed |
| US-4233215-A | Aziridinyl quinone antitumor agents | UNITED STATES OF AMERICA (US) | 1980-11-11 | — | — | US | disclosed |
| US-4146622-A | AZIRIDINYL QUINONE ANTI-TRANSPLANTED TUMOR AGENTS | THE GOVERNMENT OF THE UNITED STATES (US) | 1979-03-27 | — | — | US | disclosed |