Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 6/20 | 0.69 |
| ▸ | NPC1 | O15118 | 5/20 | 0.69 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.67 |
| ▸ | TP53 | P04637 | 6/20 | 0.67 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.67 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.66 |
| ▸ | CHRNA5 | P30532 | 3/20 | 0.66 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.63 |
| ▸ | HPGD | P15428 | 4/20 | 0.63 |
| ▸ | MAPT | P10636 | 4/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.63 |
| ▸ | TSHR | P16473 | 3/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.57 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.57 |
| ▸ | RELA | Q04206 | 1/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.57 |
| ▸ | PPARA | Q07869 | 4/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL3612716 | 0.81 | CYP2A6 (1.00) | RAB9ANPC1SMN1; SMN2CYP2A6ALDH1A1 | |
| SCHEMBL29746239 | 0.81 | CYP2A6 (1.00) | RAB9ANPC1SMN1; SMN2CYP2A6ALDH1A1 | |
| SCHEMBL3796996 | 0.81 | SMN1; SMN2 (1.00) | RAB9ANPC1SMN1; SMN2TP53CHRNB2 | |
| SCHEMBL2463534 | 0.81 | SMN1; SMN2 (0.93) | RAB9ANPC1SMN1; SMN2TP53CHRNB2 | |
| SCHEMBL1422890 | 0.81 | CHRNB2 (1.00) | RAB9ANPC1SMN1; SMN2TP53CHRNB2 | |
| SCHEMBL1423059 | 0.81 | CYP2A6 (0.70) | RAB9ANPC1SMN1; SMN2TP53CYP2A6 | |
| SCHEMBL17050891 | 0.79 | CYP2A6 (0.77) | RAB9ANPC1SMN1; SMN2CYP2A6ALDH1A1 | |
| SCHEMBL29832072 | 0.78 | CYP2A6 (0.93) | RAB9ANPC1SMN1; SMN2CYP2A6ALDH1A1 | |
| SCHEMBL1422718 | 0.78 | CHRNB2 (0.61) | RAB9ANPC1SMN1; SMN2TP53CHRNB2 | |
| SCHEMBL1423975 | 0.78 | CHRNB2 (0.74) | RAB9ANPC1SMN1; SMN2TP53CYP2A6 |
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-2021081337-A1 | METHOD OF MODULATING RIBONUCLEOTIDE REDUCTASE | CASE WESTERN RESERVE UNIVERSITY (US) | 2021-04-29 | — | — | WO | disclosed |