Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.59 |
| ▸ | CA9 | Q16790 | 4/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.56 |
| ▸ | TP53 | P04637 | 5/20 | 0.56 |
| ▸ | TSHR | P16473 | 4/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.56 |
| ▸ | MEN1 | O00255 | 3/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | FPR2 | P25090 | 2/20 | 0.50 |
| ▸ | MTOR | P42345 | 1/20 | 0.50 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.50 |
| ▸ | MYLK | Q15746 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL13296442 | 0.90 | CYP3A4 (0.65) | CA12CA9CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL31014182 | 0.88 | CYP3A4 (0.72) | CA12CA9CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL8377905 | 0.85 | ALDH1A1 (0.50) | CA12CA9CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL3683320 | 0.83 | CYP3A4 (0.79) | CA12CA9CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL13189148 | 0.82 | GSTO1 (0.55) | CYP3A4CYP1A2CYP2C19TP53TSHR | |
| SCHEMBL27476129 | 0.81 | POLB (0.58) | CYP3A4CYP1A2CYP2C19TSHRMEN1 | |
| Hydrochloric Acid SCHEMBL7402085 | 0.81 | CYP3A4 (0.72) | CYP3A4CYP1A2CYP2C19TP53TSHR | |
| SCHEMBL6186899 | 0.80 | CYP3A4 (0.54) | CA12CA9CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL32664495 | 0.80 | CA12 (0.61) | CA12CA9TP53TDP1POLB | |
| SCHEMBL634315 | 0.80 | CA12 (0.61) | CA12CA9TP53TDP1POLB |
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-0432471-A1 | Novel chloroacetamide derivates and processes for the production of the same and the use thereof | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1991-06-19 | — | — | EP | disclosed |