Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | NOS3 | P29474 | 2/20 | 0.41 |
| ▸ | NOS2 | P35228 | 2/20 | 0.41 |
| ▸ | CCR1 | P32246 | 1/20 | 0.41 |
| ▸ | CCR5 | P51681 | 1/20 | 0.41 |
| ▸ | CCR8 | P51685 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11256987 | 0.81 | USP7 (0.45) | CCR1CCR5CCR8ABL1NPC1 | |
| SCHEMBL10105111 | 0.80 | PSMB5 (0.49) | CCR1CCR5CCR8ABL1NPC1 | |
| SCHEMBL13562426 | 0.78 | FYN (0.46) | CCR1CCR5CCR8ABL1PTGS2 | |
| SCHEMBL13562437 | 0.78 | MKNK1 (0.60) | ABL1 | |
| SCHEMBL11259631 | 0.78 | ALDH1A1 (0.47) | CYP2A6ABL1ALDH1A1MAPTHPGD | |
| SCHEMBL15257349 | 0.75 | PTGS2 (0.60) | PTGS2 | |
| SCHEMBL12518227 | 0.74 | CYP2A6 (0.62) | CYP2A6NOS3NOS2NOS1NPC1 | |
| SCHEMBL24171148 | 0.74 | FYN (0.44) | — | |
| SCHEMBL28032602 | 0.74 | CYP2A6 (0.57) | CYP2A6NOS3NOS2NOS1ABL1 | |
| SCHEMBL24171393 | 0.74 | FYN (0.47) | ABL1VRK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4366319-A | Process for preparing 5-(pyridinyl)benzoxazol-2(3H)-ones | STERLING DRUG INC. (US) | 1982-12-28 | — | — | US | disclosed |
| US-4310531-A | 5-(Pyridinyl)-benzoxazol-2(3H)-ones and their use as cardiotonics | STERLING DRUG INC. (US) | 1982-01-12 | — | — | US | disclosed |