Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL1960198 | 0.77 | CACNA2D1 (0.45) | RAB9AMAPTALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL14223408 | 0.67 | KMT2A (0.68) | RAB9AMAPTALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL25131450 | 0.66 | ALDH1A1 (0.46) | MAPTALDH1A1SMN1; SMN2NPC1NPSR1 | |
| SCHEMBL16866362 | 0.65 | MAPT (0.44) | RAB9AMAPTALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL1961677 | 0.65 | SMN1; SMN2 (0.53) | MAPTALDH1A1SMN1; SMN2NPC1NPSR1 | |
| SCHEMBL608814 | 0.64 | ABL1 (0.68) | RAB9AMAPTALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL12578860 | 0.64 | CACNA2D1 (0.39) | RAB9AALDH1A1SMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL4159892 | 0.64 | MAPT (0.45) | RAB9AMAPTALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL1156444 | 0.63 | LMNA (0.77) | RAB9ATP53POLBLMNAALOX15 | |
| SCHEMBL16870274 | 0.62 | RAB9A (0.47) | RAB9AMAPTALDH1A1SMN1; SMN2NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2504329-A1 | 5-ALKYNYL-THIOPHENE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | Vertex Pharmaceuticals Incorporated (US) | 2012-10-03 | — | — | EP | disclosed |
| WO-2011068715-A1 | 5-ALKYNYL-THIOPHENE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-06-09 | — | — | WO | disclosed |