Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.51 |
| ▸ | RAB9A | P51151 | 6/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | TACR1 | P25103 | 1/20 | 0.42 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL28532191 | 0.78 | NPC1 (0.50) | NPC1RAB9AKMT2ASMN1; SMN2MAPT | |
| SCHEMBL28528370 | 0.73 | NPC1 (0.53) | NPC1RAB9AKMT2ASMN1; SMN2MAPT | |
| SCHEMBL16475559 | 0.71 | POLB (0.55) | NPC1RAB9AKMT2ASMN1; SMN2MAPT | |
| SCHEMBL9828829 | 0.69 | POLB (0.57) | NPC1RAB9AKMT2ASMN1; SMN2MAPT | |
| SCHEMBL9828824 | 0.69 | POLB (0.57) | NPC1RAB9AKMT2ASMN1; SMN2MAPT | |
| SCHEMBL11486912 | 0.69 | PPARG (0.49) | KMT2AMAPTLMNASLC6A2SLC6A3 | |
| SCHEMBL11486913 | 0.69 | PPARG (0.49) | KMT2AMAPTLMNASLC6A2SLC6A3 | |
| SCHEMBL2089324 | 0.69 | HDAC3 (0.59) | NPC1RAB9AKMT2ASMN1; SMN2MAPT | |
| SCHEMBL7575404 | 0.68 | POLB (0.61) | NPC1RAB9AKMT2ASMN1; SMN2LMNA | |
| SCHEMBL6060765 | 0.68 | KMT2A (0.53) | NPC1RAB9AKMT2ASMN1; 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 |
|---|---|---|---|---|---|---|---|
| US-6063919-A | ESTERIFICATION OF O-DEPROTECTED DIBENZYL EXOCHELIC ACID WITH BENZYL EPI-COBACTIN, HYDROGENOLYTICALLY REMOVING THE THREE BENZYL GROUPS TO FORM EXOCHELIN 786SM(R) | KEYSTONE BIOMEDICAL, INC. (US) | 2000-05-16 | — | — | US | claimed |