Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | MAPK14 | Q16539 | 6/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.43 |
| ▸ | MAPK13 | O15264 | 2/20 | 0.42 |
| ▸ | GCGR | P47871 | 2/20 | 0.42 |
| ▸ | MAPK12 | P53778 | 2/20 | 0.42 |
| ▸ | MAPK11 | Q15759 | 2/20 | 0.42 |
| ▸ | RXRA | P19793 | 2/20 | 0.41 |
| ▸ | RXRB | P28702 | 2/20 | 0.41 |
| ▸ | RXRG | P48443 | 2/20 | 0.41 |
| ▸ | CNR1 | P21554 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11752004 | 1.00 | NPC1 (0.49) | NPC1TP53TSHRRAB9ASMN1; SMN2 | |
| SCHEMBL11262728 | 0.92 | RXRA (0.46) | NPC1TP53TSHRRAB9ASMN1; SMN2 | |
| SCHEMBL11755256 | 0.92 | MAPK14 (0.50) | NPC1RAB9ASMN1; SMN2MAPK14PTGS2 | |
| SCHEMBL11752832 | 0.85 | RXRA (0.55) | TSHRHSD17B10MAPK14PTGS2PTGS1 | |
| SCHEMBL11752538 | 0.85 | RXRA (0.55) | TSHRHSD17B10MAPK14PTGS2PTGS1 | |
| SCHEMBL11749827 | 0.85 | CYP2C19 (0.51) | TSHRSMN1; SMN2HSD17B10MAPK14PTGS2 | |
| SCHEMBL11752646 | 0.85 | CYP2C19 (0.51) | TSHRSMN1; SMN2HSD17B10MAPK14PTGS2 | |
| SCHEMBL11753438 | 0.84 | NR4A2 (0.41) | NPC1TP53RAB9ASMN1; SMN2HSD17B10 | |
| SCHEMBL11752419 | 0.84 | NR1H4 (0.44) | NPC1TP53RAB9ASMN1; SMN2HSD17B10 | |
| SCHEMBL11756164 | 0.84 | NR4A2 (0.41) | NPC1TP53RAB9ASMN1; SMN2HSD17B10 |
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-4051250-A | OXAZOLE, THIAZOLE | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) | 1977-09-27 | — | — | US | disclosed |
| US-3933840-A | ANTIPHLOGISTIC | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) | 1976-01-20 | — | — | US | disclosed |