Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.72 |
| ▸ | CES2 | O00748 | 1/20 | 0.70 |
| ▸ | CES1 | P23141 | 1/20 | 0.70 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.67 |
| ▸ | LMNA | P02545 | 3/20 | 0.67 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.67 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.63 |
| ▸ | GSK3B | P49841 | 1/20 | 0.57 |
| ▸ | HSD17B14 | Q9BPX1 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL31369148 | 0.97 | KMT2A (0.75) | KMT2ACES2CES1L3MBTL1LMNA | |
| SCHEMBL87791 | 0.97 | KMT2A (0.75) | KMT2ACES2CES1L3MBTL1LMNA | |
| Hydrochloric Acid SCHEMBL27723543 | 0.95 | KMT2A (0.72) | KMT2ACES2CES1L3MBTL1LMNA | |
| SCHEMBL31369119 | 0.95 | KMT2A (0.72) | KMT2ACES2CES1L3MBTL1LMNA | |
| Water SCHEMBL6228901 | 0.95 | KMT2A (0.72) | KMT2ACES2CES1L3MBTL1LMNA | |
| Pyridine SCHEMBL28019201 | 0.89 | KMT2A (0.70) | KMT2ACES2CES1L3MBTL1LMNA | |
| SCHEMBL6115219 | 0.89 | KDM4E (0.68) | KMT2ACES2CES1L3MBTL1LMNA | |
| Acetic Acid SCHEMBL28040553 | 0.89 | KMT2A (0.70) | KMT2ACES2CES1L3MBTL1LMNA | |
| Phenol SCHEMBL17644331 | 0.87 | KMT2A (0.68) | KMT2ACES2CES1L3MBTL1LMNA | |
| Alcohol SCHEMBL9405122 | 0.87 | KMT2A (0.62) | KMT2ACES2CES1L3MBTL1LMNA |
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-5942527-A | Hydrazones, hydrazines, semicarbazones and thiosemicarbazones derived from pyridyl ketones as anticonvulsant drugs and excitatory amino acid antagonists | K & K BIOSCIENCES, INC. (US) | 1999-08-24 | — | — | US | disclosed |