Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.57 |
| ▸ | RAB9A | P51151 | 6/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.57 |
| ▸ | MEN1 | O00255 | 3/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | PKM | P14618 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.49 |
| ▸ | RELA | Q04206 | 1/20 | 0.49 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | TYK2 | P29597 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL966467 | 0.86 | NPC1 (0.62) | NPC1RAB9AKMT2AMEN1POLB | |
| SCHEMBL13214828 | 0.73 | KMT2A (0.54) | NPC1RAB9AKMT2AMEN1POLB | |
| SCHEMBL3026432 | 0.73 | KMT2A (0.54) | NPC1RAB9AKMT2AMEN1POLB | |
| SCHEMBL11770529 | 0.73 | RAB9A (1.00) | NPC1RAB9AKMT2AMEN1POLB | |
| SCHEMBL30405967 | 0.72 | NPC1 (0.72) | NPC1RAB9AKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL3022086 | 0.70 | KMT2A (0.50) | NPC1RAB9AKMT2AMEN1POLB | |
| SCHEMBL3026444 | 0.69 | KMT2A (0.48) | NPC1RAB9AKMT2AMEN1POLB | |
| SCHEMBL17595198 | 0.69 | NPC1 (0.48) | NPC1RAB9AKMT2AMEN1POLB | |
| SCHEMBL3029188 | 0.69 | MAPT (0.51) | NPC1RAB9AKMT2AMEN1POLB | |
| SCHEMBL3027021 | 0.69 | NPC1 (0.51) | NPC1RAB9AKMT2AMEN1POLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996014842-A1 | SUBSTITUTED HETEROCYCLES AS INHIBITORS OF NITRIC OXIDE SYNTHASE | MERCK & CO., INC. (US) | 1996-05-23 | — | — | WO | claimed |
| WO-1996014842-A1 | SUBSTITUTED HETEROCYCLES AS INHIBITORS OF NITRIC OXIDE SYNTHASE | MERCK & CO., INC. (US) | 1996-05-23 | — | — | WO | disclosed |