Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 14/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | GFPT1 | Q06210 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10476088 | 1.00 | ACHE (0.50) | ACHENPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL29215366 | 0.94 | NPC1 (0.57) | ACHENPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL25051840 | 0.94 | NPC1 (0.57) | ACHENPC1RAB9ASMN1; SMN2LMNA | |
| Hydrochloric Acid SCHEMBL31297526 | 0.92 | NPC1 (0.56) | ACHENPC1RAB9ASMN1; SMN2LMNA | |
| Hydrochloric Acid SCHEMBL30134385 | 0.92 | NPC1 (0.56) | ACHENPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL3806850 | 0.87 | ACHE (0.50) | ACHENPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL7786502 | 0.83 | ACHE (0.53) | ACHENPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL7534573 | 0.81 | ACHE (0.57) | ACHE | |
| SCHEMBL457464 | 0.81 | ACHE (0.57) | ACHE | |
| SCHEMBL2486968 | 0.81 | NPC1 (0.55) | ACHENPC1RAB9ASMN1; SMN2LMNA |
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-2003037346-A1 | 6-PHENYL-N-PHENYL-(1,3,5) -TRIAZINE-2,4-DIAMINE DERIVATIVES AND RELATED COMPOUNDS WITH LYSOPHPHOSPHATIDIC ACID ACYLTRANSFERASE BETA (LPAAT-BETA) INHIBITORY ACTIVITY FOR USE IN THE TREATMENT OF CANCER | CELL THERAPEUTICS, INC. (US) | 2003-05-08 | — | — | WO | disclosed |