Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 3/20 | 0.49 |
| ▸ | CA2 | P00918 | 3/20 | 0.49 |
| ▸ | CA7 | P43166 | 3/20 | 0.49 |
| ▸ | CA9 | Q16790 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8973073 | 0.92 | MEN1 (0.59) | MEN1KMT2ANPSR1ALDH1A1KDM4E | |
| SCHEMBL1498835 | 0.90 | MEN1 (0.57) | MEN1KMT2ANPSR1ALDH1A1KDM4E | |
| SCHEMBL1267899 | 0.88 | MEN1 (0.58) | MEN1KMT2ANPSR1ALDH1A1KDM4E | |
| SCHEMBL4724643 | 0.86 | MEN1 (0.56) | MEN1KMT2ANPSR1ALDH1A1KDM4E | |
| SCHEMBL30976548 | 0.86 | MEN1 (0.56) | MEN1KMT2ANPSR1ALDH1A1KDM4E | |
| SCHEMBL13150327 | 0.85 | ALDH1A1 (0.57) | MEN1KMT2ANPSR1ALDH1A1KDM4E | |
| SCHEMBL31323593 | 0.85 | MEN1 (0.54) | MEN1KMT2ANPSR1ALDH1A1KDM4E | |
| SCHEMBL8668189 | 0.83 | MEN1 (0.56) | MEN1KMT2ANPSR1ALDH1A1KDM4E | |
| SCHEMBL28578060 | 0.83 | MEN1 (0.56) | MEN1KMT2ANPSR1ALDH1A1KDM4E | |
| SCHEMBL8564857 | 0.82 | L3MBTL1 (0.55) | MEN1KMT2ANPSR1ALDH1A1KDM4E |
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-5747000-A | 1,4-7-TRIS-(CARBOXYMETHYL)-1,4,7,10-TETRAAZACYCLODODECANE DERIVATIVES; DETERMINING CHEMICAL SHIFT OF SIGNALS IN NUCLEAR MAGNETIC RESONANCE | SCHERING AKTIENGESELLSCHAFT (DE) | 1998-05-05 | — | — | US | disclosed |