Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 9/20 | 0.40 |
| ▸ | RAB9A | P51151 | 9/20 | 0.40 |
| ▸ | MEN1 | O00255 | 5/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.39 |
| ▸ | ACHE | P22303 | 3/20 | 0.38 |
| ▸ | BACE1 | P56817 | 3/20 | 0.38 |
| ▸ | BCHE | P06276 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7987392 | 1.00 | NPC1 (0.40) | NPC1RAB9AMEN1KMT2AACHE | |
| SCHEMBL6768929 | 0.86 | RAB9A (0.41) | NPC1RAB9AMEN1KMT2AACHE | |
| SCHEMBL6768931 | 0.86 | RAB9A (0.41) | NPC1RAB9AMEN1KMT2AACHE | |
| SCHEMBL7973961 | 0.82 | RAB9A (0.44) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL7973963 | 0.82 | RAB9A (0.44) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL7989236 | 0.78 | CYP1A2 (0.48) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL7989237 | 0.78 | CYP1A2 (0.48) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL7984107 | 0.70 | ALDH1A1 (0.32) | ALDH1A1GAAMAPT | |
| SCHEMBL6784565 | 0.68 | SENP6 (0.56) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL6784562 | 0.68 | SENP6 (0.56) | NPC1RAB9AMEN1KMT2AALDH1A1 |
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-6319924-B1 | FOR THERAPY OF DELETERIOUS MENTAL STATES | MERCK SHARP & DOHME LTD. (GB) | 2001-11-20 | — | — | US | disclosed |