Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.60 |
| ▸ | NPC1 | O15118 | 4/20 | 0.60 |
| ▸ | RAB9A | P51151 | 4/20 | 0.60 |
| ▸ | MAPT | P10636 | 2/20 | 0.60 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.60 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.60 |
| ▸ | RELA | Q04206 | 2/20 | 0.60 |
| ▸ | MAP2K4 | P45985 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | RORB | Q92753 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11749730 | 0.88 | ALDH1A1 (0.57) | ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A | |
| SCHEMBL11756806 | 0.85 | ADORA1 (0.50) | ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A | |
| SCHEMBL11756944 | 0.85 | MAP2K4 (0.48) | ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A | |
| SCHEMBL11751508 | 0.83 | ADORA1 (0.50) | ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A | |
| SCHEMBL11754265 | 0.81 | MAP2K4 (0.51) | ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A | |
| SCHEMBL11751350 | 0.80 | ADORA1 (0.58) | ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A | |
| SCHEMBL11754378 | 0.79 | MAP2K4 (0.48) | ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A | |
| SCHEMBL11755291 | 0.79 | POLB (0.54) | ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A | |
| SCHEMBL11747694 | 0.77 | NR4A2 (0.61) | ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A | |
| SCHEMBL11752999 | 0.77 | LTB4R (0.47) | ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A |
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 |