Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.60 |
| ▸ | RAB9A | P51151 | 7/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | NAMPT | P43490 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.52 |
| ▸ | MEN1 | O00255 | 4/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | CFTR | P13569 | 1/20 | 0.42 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.42 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL24892106 | 0.91 | ALDH1A1 (0.46) | NPC1RAB9ASMN1; SMN2ALDH1A1NAMPT | |
| Trifluoroacetic Acid SCHEMBL30182593 | 0.83 | HDAC1 (0.53) | NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL24892365 | 0.80 | ST14 (0.55) | NPC1RAB9ASMN1; SMN2LMNAPOLB | |
| SCHEMBL24670339 | 0.75 | TRPV1 (0.50) | NPC1RAB9ASMN1; SMN2NAMPTKMT2A | |
| SCHEMBL7716976 | 0.75 | KMT2A (0.61) | NPC1RAB9ASMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL20740201 | 0.75 | CNR1 (0.56) | NPC1RAB9ASMN1; SMN2L3MBTL1KDM4E | |
| SCHEMBL24892100 | 0.73 | S1PR1 (0.47) | NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1 | |
| SCHEMBL24892364 | 0.72 | ST14 (0.47) | NPC1RAB9ASMN1; SMN2LMNAPOLB | |
| SCHEMBL24891884 | 0.72 | TP53 (0.49) | NPC1RAB9ASMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL12789016 | 0.72 | RAB9A (0.71) | NPC1RAB9ASMN1; SMN2ALDH1A1NAMPT |
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-2023287736-A1 | NOVEL BIS-AMIDE CONTAINING COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE | FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) | 2023-01-19 | — | — | WO | disclosed |