Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | BCHE | P06276 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | NPY1R | P25929 | 1/20 | 0.46 |
| ▸ | NPY2R | P49146 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 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 | |
|---|---|---|---|---|
| SCHEMBL1824682 | 0.97 | ALDH1A1 (0.47) | ALDH1A1BCHEHTTLMNAKDM4E | |
| SCHEMBL1615463 | 0.88 | ALDH1A1 (0.52) | ALDH1A1BCHEHTTLMNAKDM4E | |
| SCHEMBL1823504 | 0.88 | TP53 (0.49) | ALDH1A1KDM4ESMN1; SMN2KMT2ATP53 | |
| SCHEMBL1826130 | 0.87 | TP53 (0.44) | ALDH1A1KDM4EKMT2ATP53POLB | |
| SCHEMBL1824216 | 0.86 | TP53 (0.49) | ALDH1A1HTTKDM4ESMN1; SMN2KMT2A | |
| SCHEMBL1827585 | 0.86 | TP53 (0.53) | ALDH1A1HTTKDM4ESMN1; SMN2KMT2A | |
| SCHEMBL1615275 | 0.85 | TP53 (0.49) | ALDH1A1BCHELMNAKMT2ATP53 | |
| SCHEMBL1822868 | 0.85 | TP53 (0.43) | ALDH1A1LMNAKDM4ESMN1; SMN2KMT2A | |
| SCHEMBL1831867 | 0.85 | KMT2A (0.52) | SMN1; SMN2KMT2ATP53POLBMAPT | |
| SCHEMBL1824680 | 0.84 | MEN1 (0.54) | ALDH1A1KMT2ATP53POLBRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1794122-B1 | 3-SUBSTITUTED-5- AND 6-AMINOALKYL INDOLE-2-CARBOXYLIC ACID AMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I | AVENTIS PHARMA INC (US) | 2011-05-04 | — | — | EP | claimed |