Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | XIAP | P98170 | 1/20 | 0.50 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 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 | |
|---|---|---|---|---|
| SCHEMBL12974664 | 0.80 | EPHX1 (0.56) | XIAPBIRC2ALDH1A1HTTATM | |
| SCHEMBL3222006 | 0.77 | HRH3 (0.59) | XIAPBIRC2ALDH1A1 | |
| SCHEMBL13403442 | 0.76 | XIAP (0.61) | MEN1KMT2AXIAPBIRC2ALDH1A1 | |
| SCHEMBL11446844 | 0.74 | XIAP (0.59) | XIAPBIRC2ALDH1A1RAB9AMAPT | |
| SCHEMBL13403449 | 0.74 | MEN1 (0.59) | MEN1KMT2APOLBKDM4E | |
| SCHEMBL13403450 | 0.72 | SMN1; SMN2 (0.55) | KMT2ARAB9AMAPK1MAPTSMN1; SMN2 | |
| SCHEMBL29751774 | 0.72 | XIAP (0.65) | MEN1KMT2AXIAPBIRC2ALDH1A1 | |
| SCHEMBL1196692 | 0.72 | XIAP (0.65) | MEN1KMT2AXIAPBIRC2ALDH1A1 | |
| SCHEMBL16899020 | 0.71 | XIAP (0.59) | XIAPBIRC2ALDH1A1POLBRAB9A | |
| SCHEMBL2597849 | 0.71 | HTT (0.64) | MEN1KMT2AALDH1A1HTTPOLB |
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-7696217-B2 | 17-acetamido-4-azasteroid derivatives as androgen receptor modulators | MERCK SHARP & DOHME CORP. (US) | 2010-04-13 | — | — | US | disclosed |
| US-7696217-B2 | 17-acetamido-4-azasteroid derivatives as androgen receptor modulators | MERCK SHARP & DOHME CORP. (US) | 2010-04-13 | — | — | US | disclosed |