Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.65 |
| ▸ | RAB9A | P51151 | 2/20 | 0.65 |
| ▸ | NPC1 | O15118 | 1/20 | 0.65 |
| ▸ | HPGD | P15428 | 1/20 | 0.65 |
| ▸ | MTNR1A | P48039 | 5/20 | 0.53 |
| ▸ | MTNR1B | P49286 | 5/20 | 0.53 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.50 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.50 |
| ▸ | PTGER3 | P43115 | 2/20 | 0.50 |
| ▸ | PTGER2 | P43116 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15417948 | 0.88 | MTNR1B (0.55) | SMN1; SMN2RAB9ANPC1HPGDMTNR1A | |
| SCHEMBL10735687 | 0.83 | SMN1; SMN2 (0.70) | SMN1; SMN2RAB9ANPC1HPGDMTNR1A | |
| SCHEMBL6812864 | 0.82 | SMN1; SMN2 (0.68) | SMN1; SMN2RAB9ANPC1HPGDMTNR1A | |
| SCHEMBL27552163 | 0.82 | SMN1; SMN2 (0.68) | SMN1; SMN2RAB9ANPC1HPGDMTNR1A | |
| SCHEMBL10826050 | 0.80 | SMN1; SMN2 (0.86) | SMN1; SMN2RAB9ANPC1HPGDMAPT | |
| SCHEMBL10676508 | 0.79 | PTGER1 (0.61) | SMN1; SMN2RAB9ANPC1HPGDMTNR1A | |
| SCHEMBL8843713 | 0.79 | SMN1; SMN2 (0.90) | SMN1; SMN2RAB9ANPC1HPGDMAPT | |
| SCHEMBL6811211 | 0.79 | SMN1; SMN2 (1.00) | SMN1; SMN2RAB9ANPC1HPGDMTNR1A | |
| SCHEMBL10368672 | 0.79 | MTNR1A (0.56) | SMN1; SMN2RAB9ANPC1HPGDMTNR1A | |
| SCHEMBL9739697 | 0.78 | NPC1 (0.56) | SMN1; SMN2RAB9ANPC1HPGDMTNR1A |
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-104640847-B | Novel Renin Inhibitors | 上海医药集团股份有限公司 | 2019-10-15 | — | — | CN | disclosed |
| CN-104640847-A | Novel Renin Inhibitors | SHANGHAI PHARMACEUTICALS HOLDING CO LTD | 2015-05-20 | — | — | CN | disclosed |