Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CTSD | P07339 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.35 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CCR6 | P51684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22955846 | 0.83 | — | — | |
| SCHEMBL22151012 | 0.79 | MEN1 (0.36) | MEN1KMT2ACYP2C9CTSDCYP1A2 | |
| SCHEMBL19372434 | 0.78 | MEN1 (0.34) | MEN1KMT2ACYP2C9CTSDCYP1A2 | |
| SCHEMBL155565 | 0.77 | — | — | |
| SCHEMBL6356662 | 0.77 | — | — | |
| SCHEMBL25297671 | 0.74 | MEN1 (0.40) | MEN1KMT2ACYP2C9CYP1A2SMN1; SMN2 | |
| SCHEMBL840286 | 0.74 | — | — | |
| SCHEMBL14941263 | 0.74 | MEN1 (0.40) | MEN1KMT2ACYP2C9CYP1A2SMN1; SMN2 | |
| SCHEMBL19546262 | 0.74 | KMT2A (0.40) | MEN1KMT2ACYP2C9ALDH1A1TDP1 | |
| SCHEMBL28221562 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4166894-A | QUATERNARY AMMONIUM COMPOUNDS OR POLYMERS HAVING AMIDE GROUPS | CALGON CORPORATION (US) | 1979-09-04 | — | — | US | disclosed |
| US-4075136-A | ELECTROCONDUCTIVE COATING | CALGON CORPORATION (US) | 1978-02-21 | — | — | US | disclosed |