Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | MITF | O75030 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.39 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.38 |
| ▸ | TUBB | P07437 | 1/20 | 0.38 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.38 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.38 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29278758 | 0.82 | PKM (0.39) | ALDH1A1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL30746793 | 0.82 | PKM (0.39) | ALDH1A1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL812682 | 0.74 | PKM (0.79) | ALDH1A1KMT2ATDP1PKMESR1 | |
| SCHEMBL10617441 | 0.73 | MEN1 (0.58) | ALDH1A1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL3204922 | 0.72 | PKM (0.46) | ALDH1A1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL2037678 | 0.70 | MET (0.59) | ALDH1A1MEN1KMT2ACYP19A1MAPT | |
| SCHEMBL4953238 | 0.70 | ALDH1A1 (0.51) | ALDH1A1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL8661055 | 0.69 | PKM (0.55) | ALDH1A1MEN1KMT2APKMESR1 | |
| SCHEMBL3258764 | 0.69 | ESR1 (0.61) | ALDH1A1NPC1MEN1KMT2APKM | |
| SCHEMBL28939777 | 0.68 | SLC22A6 (0.49) | ALDH1A1MEN1KMT2ATDP1PKM |
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-2010025872-A2 | ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL | UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) | 2010-03-11 | — | — | WO | disclosed |