Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.41 |
| ▸ | SELE | P16581 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 6/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | RECQL | P46063 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL2849400 | 0.93 | ICAM1 (0.42) | ALDH1A1NPC1RAB9AICAM1SELE | |
| SCHEMBL1732484 | 0.93 | ALDH1A1 (0.46) | ALDH1A1NPC1RAB9AICAM1SELE | |
| SCHEMBL8752380 | 0.86 | KDM4C (0.44) | NPC1RAB9AMEN1KMT2A | |
| SCHEMBL4317051 | 0.82 | ICAM1 (0.45) | ALDH1A1NPC1RAB9AICAM1SELE | |
| SCHEMBL10816073 | 0.81 | ICAM1 (0.41) | ALDH1A1NPC1RAB9AICAM1SELE | |
| SCHEMBL23092798 | 0.81 | MEN1 (0.44) | ALDH1A1NPC1RAB9AICAM1SELE | |
| SCHEMBL1732627 | 0.79 | KDM4C (0.41) | ALDH1A1NPC1RAB9AICAM1SELE | |
| SCHEMBL7338156 | 0.79 | KDM4C (0.41) | NPC1RAB9AICAM1SELEMEN1 | |
| SCHEMBL5429878 | 0.78 | KDM4C (0.49) | ALDH1A1NPC1RAB9AICAM1SELE | |
| SCHEMBL3999018 | 0.78 | ICAM1 (0.42) | ALDH1A1NPC1RAB9AICAM1SELE |
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-1996000708-A1 | METHOD FOR PREPARING ALKYLATING AGENTS AND THEIR USE FOR ALKYLATING CYCLIC UREAS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-01-11 | — | — | WO | disclosed |