Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 3/20 | 0.43 |
| ▸ | CA2 | P00918 | 3/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7758925 | 1.00 | ALDH1A1 (0.47) | ALDH1A1NPC1RAB9APOLBSMN1; SMN2 | |
| SCHEMBL858791 | 0.93 | ALDH1A1 (0.49) | ALDH1A1NPC1RAB9APOLBSMN1; SMN2 | |
| SCHEMBL13533438 | 0.93 | ALDH1A1 (0.49) | ALDH1A1NPC1RAB9APOLBSMN1; SMN2 | |
| SCHEMBL858792 | 0.93 | ALDH1A1 (0.49) | ALDH1A1NPC1RAB9APOLBSMN1; SMN2 | |
| SCHEMBL7761445 | 0.90 | RAB9A (0.46) | ALDH1A1NPC1RAB9APOLBSMN1; SMN2 | |
| SCHEMBL7754976 | 0.90 | RAB9A (0.46) | ALDH1A1NPC1RAB9APOLBSMN1; SMN2 | |
| SCHEMBL12217782 | 0.88 | ALDH1A1 (0.53) | ALDH1A1NPC1RAB9APOLBSMN1; SMN2 | |
| SCHEMBL7342215 | 0.87 | SYK (0.46) | ALDH1A1NPC1RAB9APOLBSMN1; SMN2 | |
| SCHEMBL7342211 | 0.87 | SYK (0.46) | ALDH1A1NPC1RAB9APOLBSMN1; SMN2 | |
| SCHEMBL8063409 | 0.83 | ALDH1A1 (0.44) | ALDH1A1NPC1RAB9APOLBSMN1; SMN2 |
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-2001062242-A1 | PRODRUGS OF SUBSTITUTED CYCLOPENTANE AND CYCLOPENTENE COMPOUNDS USEFUL AS NEURAMINIDASE INHIBITORS | BIOCRYST PHARMACEUTICALS, INC. (US) | 2001-08-30 | — | — | WO | disclosed |