Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 1/20 | 0.42 |
| ▸ | HTR1E | P28566 | 1/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | PROKR1 | Q8TCW9 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27689759 | 0.87 | CHRM3 (0.46) | HTR1ES1PR3TSHRHPGDSMN1; SMN2 | |
| SCHEMBL5508506 | 0.87 | CHRM3 (0.46) | HTR1ES1PR3TSHRHPGDSMN1; SMN2 | |
| SCHEMBL5508508 | 0.87 | CHRM3 (0.46) | HTR1ES1PR3TSHRHPGDSMN1; SMN2 | |
| SCHEMBL28510054 | 0.86 | CYP2D6 (0.45) | ALDH1A1SMN1; SMN2RIPK1 | |
| SCHEMBL21926391 | 0.86 | ALDH1A1 (0.46) | HTR1ES1PR3TSHRHPGDNPC1 | |
| SCHEMBL21926840 | 0.86 | ALDH1A1 (0.46) | HTR1ES1PR3TSHRHPGDNPC1 | |
| SCHEMBL21926997 | 0.86 | ALDH1A1 (0.46) | HTR1ES1PR3TSHRHPGDNPC1 | |
| SCHEMBL3968379 | 0.84 | HPGD (0.42) | HPGDALDH1A1RAB9ASMN1; SMN2CHRM3 | |
| SCHEMBL4971412 | 0.81 | RIPK1 (0.38) | HPGDALDH1A1RAB9ASMN1; SMN2RIPK1 | |
| SCHEMBL4971408 | 0.81 | RIPK1 (0.38) | HPGDALDH1A1RAB9ASMN1; SMN2RIPK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101356156-B | Aspartic protease inhibitors | VITAE PHARMACEUTICALS INC | 2012-12-05 | — | — | CN | disclosed |
| CN-101356156-A | Aspartic protease inhibitors | VITAE PHARMACEUTICALS INC (US) | 2009-01-28 | — | — | CN | disclosed |