Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | AMPD2 | Q01433 | 1/20 | 0.37 |
| ▸ | ACE | P12821 | 1/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27707083 | 0.76 | ALDH1A1 (0.46) | BRD4KMT2ACYP2C9CYP2C19POLB | |
| Hydrochloric Acid SCHEMBL9574607 | 0.74 | ALDH1A1 (0.45) | BRD4KMT2ACYP2C9CYP2C19POLB | |
| SCHEMBL27488987 | 0.74 | ALDH1A1 (0.46) | BRD4KMT2ACYP2C9CYP2C19POLB | |
| SCHEMBL27902380 | 0.74 | KDM4E (0.40) | PARP1KMT2ACYP2C19POLBALDH1A1 | |
| SCHEMBL4252730 | 0.72 | ALDH1A1 (0.43) | BRD4KMT2ACYP2C9CYP2C19POLB | |
| Hydrochloric Acid SCHEMBL9574577 | 0.71 | ALDH1A1 (0.42) | KMT2ACYP2C9CYP2C19POLBCYP2D6 | |
| Bromide SCHEMBL7626002 | 0.71 | ALDH1A1 (0.43) | BRD4KMT2ACYP2C9CYP2C19POLB | |
| Hydrochloric Acid SCHEMBL313570 | 0.71 | ALDH1A1 (0.43) | BRD4KMT2ACYP2C9CYP2C19POLB | |
| SCHEMBL27774563 | 0.70 | CYP2C9 (0.41) | BRD4KMT2ACYP2C9CYP2C19POLB | |
| Bromide SCHEMBL28521427 | 0.69 | ALDH1A1 (0.40) | BRD4KMT2ACYP2C9CYP2C19POLB |
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-101595105-B | 2-substituted 5-membered heterocycles as SCD inhibitors | NOVARTIS AG | 2013-01-23 | — | — | CN | disclosed |
| CN-101595105-A | 5 membered heterocyclic compounds that replace as the 2-of SCD inhibitor | NOVARTIS AG XENON PHARMACEUTIC (CH) | 2009-12-02 | — | — | CN | disclosed |