Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | MMP8 | P22894 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | VDR | P11473 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15963902 | 0.85 | ALDH1A1 (0.46) | ALDH1A1MEN1KMT2AGAASMN1; SMN2 | |
| SCHEMBL18900307 | 0.82 | ALDH1A1 (0.43) | ALDH1A1MEN1KMT2AGAASMN1; SMN2 | |
| SCHEMBL14944048 | 0.79 | ALDH1A1 (0.43) | ALDH1A1MEN1KMT2AGAASMN1; SMN2 | |
| SCHEMBL27924450 | 0.79 | ALDH1A1 (0.42) | ALDH1A1MEN1KMT2AGAASMN1; SMN2 | |
| SCHEMBL8394723 | 0.77 | ALDH1A1 (0.44) | ALDH1A1MEN1KMT2AGAASMN1; SMN2 | |
| SCHEMBL7093841 | 0.77 | ALDH1A1 (0.38) | ALDH1A1MEN1KMT2AGAASMN1; SMN2 | |
| SCHEMBL12461296 | 0.76 | ALDH1A1 (0.47) | ALDH1A1MEN1KMT2AGAASMN1; SMN2 | |
| SCHEMBL4127587 | 0.76 | ALDH1A1 (0.43) | ALDH1A1MEN1KMT2AGAASMN1; SMN2 | |
| SCHEMBL14778175 | 0.74 | ALDH1A1 (0.42) | ALDH1A1MEN1KMT2AGAASMN1; SMN2 | |
| SCHEMBL20018088 | 0.74 | CA1 (0.43) | ALDH1A1MEN1KMT2AGAASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8841263-B2 | Macrocyclic compounds and methods of making and using the same | MELINTA THERAPEUTICS, INC. (US) | 2014-09-23 | — | — | US | disclosed |