Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.57 |
| ▸ | MAPT | P10636 | 4/20 | 0.57 |
| ▸ | MEN1 | O00255 | 4/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | FAAH | O00519 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | CRHBP | P24387 | 1/20 | 0.42 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL22534229 | 0.98 | KMT2A (0.55) | KMT2AMAPTMEN1NPSR1KDM4E | |
| SCHEMBL15694051 | 0.90 | KMT2A (0.65) | KMT2AMAPTMEN1NPSR1KDM4E | |
| SCHEMBL29092803 | 0.85 | MAPT (0.73) | KMT2AMAPTMEN1NPSR1KDM4E | |
| SCHEMBL10520278 | 0.85 | CTSD (0.56) | KMT2AMAPTMEN1NPSR1KDM4E | |
| SCHEMBL21062352 | 0.85 | KMT2A (0.52) | KMT2AMAPTMEN1NPSR1KDM4E | |
| SCHEMBL20514255 | 0.85 | KMT2A (0.61) | KMT2AMAPTMEN1NPSR1KDM4E | |
| SCHEMBL28259936 | 0.83 | ALDH1A1 (0.70) | KMT2AMAPTMEN1NPSR1KDM4E | |
| SCHEMBL29379925 | 0.82 | HSP90AA1 (0.65) | KMT2AMAPTMEN1NPSR1KDM4E | |
| SCHEMBL16426272 | 0.81 | HDAC3 (0.54) | KMT2AMAPTMEN1NPSR1KDM4E | |
| SCHEMBL2183141 | 0.81 | FAAH (0.68) | KMT2AMAPTMEN1NPSR1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-1152316-A | Oxidation of steroids having allylic groups | MERCK & CO INC (US) | 1997-06-18 | — | — | CN | claimed |
| CN-113801052-B | Indolylguanidine compound containing aromatic acid ester, and preparation method and application thereof | 西安交通大学 | 2023-06-27 | — | — | CN | disclosed |