Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.61 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.61 |
| ▸ | P2RX1 | P51575 | 2/20 | 0.59 |
| ▸ | RAB9A | P51151 | 3/20 | 0.56 |
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | HTT | P42858 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | GMNN | O75496 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | HTR1A | P08908 | 1/20 | 0.56 |
| ▸ | THRB | P10828 | 1/20 | 0.56 |
| ▸ | PIM1 | P11309 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | MAOA | P21397 | 1/20 | 0.56 |
| ▸ | SLC6A2 | P23975 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1827094 | 0.84 | IL2 (0.50) | SMN1; SMN2PTGS1P2RX1RXFP1TRPV1 | |
| SCHEMBL14688750 | 0.83 | NPC1 (0.63) | SMN1; SMN2RAB9ANPC1HTTMEN1 | |
| SCHEMBL4138863 | 0.81 | HPGD (0.77) | SMN1; SMN2RAB9ANPC1HTTMEN1 | |
| SCHEMBL22820183 | 0.78 | NPC1 (0.67) | SMN1; SMN2PTGS1P2RX1RAB9ANPC1 | |
| SCHEMBL16363172 | 0.78 | KCNK3 (0.47) | SMN1; SMN2PTGS1P2RX1RAB9ANPC1 | |
| SCHEMBL11138342 | 0.77 | RAB9A (0.64) | SMN1; SMN2PTGS1RAB9ANPC1HTT | |
| SCHEMBL12700361 | 0.77 | NPC1 (0.71) | SMN1; SMN2PTGS1RAB9ANPC1CYP1A2 | |
| SCHEMBL2638776 | 0.77 | PTGS1 (0.70) | SMN1; SMN2PTGS1RAB9ANPC1LMNA | |
| SCHEMBL30665186 | 0.77 | P2RX1 (0.75) | SMN1; SMN2PTGS1P2RX1RAB9ANPC1 | |
| SCHEMBL2698258 | 0.77 | P2RX1 (0.75) | SMN1; SMN2PTGS1P2RX1RAB9ANPC1 |
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-102617580-B | Vasopressin v1a antagonists | VANTIA LTD | 2015-03-04 | — | — | CN | disclosed |
| CN-101563347-A | Vasopressin V1a antagonists | VANTIA LTD (GB) | 2009-10-21 | — | — | CN | disclosed |