Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Biphenyl SCHEMBL944174 | 0.98 | NOTUM (0.50) | NOTUMALDH1A1ATMNPC1RAB9A | |
| Biphenyl SCHEMBL28712032 | 0.98 | NOTUM (0.50) | NOTUMALDH1A1ATMNPC1RAB9A | |
| Biphenyl SCHEMBL29228469 | 0.98 | NOTUM (0.50) | NOTUMALDH1A1ATMNPC1RAB9A | |
| Oxazole SCHEMBL9695544 | 0.91 | MAPT (0.38) | NOTUMMAPTSMN1; SMN2 | |
| Oxazole SCHEMBL28506431 | 0.90 | RAB9A (0.47) | NOTUMALDH1A1ATMNPC1RAB9A | |
| Biphenyl SCHEMBL28233012 | 0.86 | NOTUM (0.40) | NOTUMALDH1A1ATMNPC1RAB9A | |
| Benzene SCHEMBL1074962 | 0.83 | TSHR (0.33) | TSHRTDP1 | |
| Benzene SCHEMBL22440071 | 0.83 | TSHR (0.33) | TSHRTDP1 | |
| Benzene SCHEMBL28355914 | 0.83 | TSHR (0.33) | TSHRTDP1 | |
| Triphenylene SCHEMBL21381928 | 0.81 | LMNA (0.32) | ALDH1A1NPC1MAPTSMN1; SMN2MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117178031-A | Preparation of organic functional material | 默克专利有限公司 | 2023-12-05 | — | — | CN | disclosed |