Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | TBXA2R | P21731 | 3/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | MMP8 | P22894 | 1/20 | 0.37 |
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL7955716 | 1.00 | ALDH1A1 (0.48) | ALDH1A1HTTPOLBKMT2AMEN1 | |
| SCHEMBL8731526 | 0.88 | ALDH1A1 (0.44) | ALDH1A1HTTPOLBKMT2AMEN1 | |
| SCHEMBL5968972 | 0.82 | KMT2A (0.46) | ALDH1A1POLBKMT2AMEN1CA1 | |
| SCHEMBL5968978 | 0.82 | KMT2A (0.46) | ALDH1A1POLBKMT2AMEN1CA1 | |
| SCHEMBL7955717 | 0.81 | KMT2A (0.38) | KMT2AMEN1CA1CA2MMP1 | |
| SCHEMBL9776653 | 0.76 | KMT2A (0.45) | ALDH1A1HTTPOLBKMT2AMEN1 | |
| SCHEMBL7064585 | 0.67 | KMT2A (0.40) | ALDH1A1HTTKMT2AMEN1CA1 | |
| SCHEMBL10711121 | 0.67 | SMN1; SMN2 (0.49) | ALDH1A1KMT2AMEN1CA1CA2 | |
| SCHEMBL9244505 | 0.67 | KMT2A (0.54) | ALDH1A1POLBKMT2AMEN1CA1 | |
| SCHEMBL7062455 | 0.67 | ALDH1A1 (0.46) | ALDH1A1POLBKMT2AMEN1CA1 |
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-6172238-B1 | Process for manufacturing 1-[3-cyclopentyl-2(R)-[1(R)-hydroxycarbamoyl)-2-(3,4,4-trimethyl-2,5-dioxo-1-imidazolidinyl)ethyl]propionyl]piperidine | HOFFMANN-LA ROCHE INC. | 2001-01-09 | — | — | US | disclosed |
| US-6031103-A | Process for manufacturing 1-[3-cyclopentyl -2(R)-[1(R)-hydroxycarbamoyl)-2-(3, 4, 4-trimethyl -2, 5-D ioxo-1-imidazolidinyl) ethyl] propionyl] piperidine | HOFFMANN-LA ROCHE INC. (US) | 2000-02-29 | — | — | US | disclosed |