Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.44 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.44 |
| ▸ | ITGAV | P06756 | 1/20 | 0.44 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.44 |
| ▸ | ITGB6 | P18564 | 1/20 | 0.44 |
| ▸ | FDPS | P14324 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30919950 | 1.00 | ALDH1A1 (0.46) | ALDH1A1POLBITGB3ITGB1ITGAV | |
| SCHEMBL30919964 | 0.87 | POLB (0.49) | ALDH1A1POLBITGB3ITGB1ITGAV | |
| SCHEMBL30920005 | 0.87 | POLB (0.49) | ALDH1A1POLBITGB3ITGB1ITGAV | |
| SCHEMBL17234444 | 0.87 | POLB (0.49) | ALDH1A1POLBITGB3ITGB1ITGAV | |
| SCHEMBL17234448 | 0.87 | POLB (0.49) | ALDH1A1POLBITGB3ITGB1ITGAV | |
| SCHEMBL18553327 | 0.87 | POLB (0.49) | ALDH1A1POLBITGB3ITGB1ITGAV | |
| SCHEMBL1602633 | 0.81 | ALDH1A1 (0.49) | ALDH1A1POLBITGB3ITGB1ITGAV | |
| SCHEMBL17234143 | 0.81 | ALDH1A1 (0.49) | ALDH1A1POLBITGB3ITGB1ITGAV | |
| SCHEMBL18553322 | 0.81 | FDPS (0.46) | POLBITGB3ITGB1ITGAVITGB5 | |
| SCHEMBL17234128 | 0.81 | FDPS (0.46) | POLBITGB3ITGB1ITGAVITGB5 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016176636-A1 | INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF | RGENIX, INC. (US) | 2016-11-03 | — | — | WO | claimed |