Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.56 |
| ▸ | RAB9A | P51151 | 3/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.44 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.44 |
| ▸ | TBK1 | Q9UHD2 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | JAK1 | P23458 | 1/20 | 0.40 |
| ▸ | JAK3 | P52333 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14097538 | 0.84 | ABL1 (0.40) | NPC1RAB9ATBK1SMN1; SMN2POLB | |
| SCHEMBL14097487 | 0.82 | ABL1 (0.57) | ABL1 | |
| SCHEMBL14097552 | 0.80 | NPC1 (0.61) | NPC1RAB9ASMN1; SMN2POLBTDP1 | |
| SCHEMBL14097432 | 0.77 | ABL1 (0.52) | ABL1 | |
| SCHEMBL14097410 | 0.76 | ABL1 (0.59) | NPC1RAB9APOLBABL1 | |
| SCHEMBL544177 | 0.73 | NPC1 (0.62) | NPC1RAB9ASMN1; SMN2POLBTDP1 | |
| SCHEMBL9394577 | 0.73 | NPC1 (1.00) | NPC1RAB9ASMN1; SMN2POLBTDP1 | |
| SCHEMBL14097416 | 0.72 | ABL1 (0.53) | ABL1 | |
| SCHEMBL14097444 | 0.69 | ABL1 (0.54) | ABL1 | |
| SCHEMBL14097429 | 0.69 | ABL1 (0.59) | ABL1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7414046-B2 | Gyrase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-08-19 | — | — | US | disclosed |
| US-7414046-B2 | Gyrase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-08-19 | — | — | US | disclosed |
| US-RE40245-E1 | Gyrase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-04-15 | — | — | US | disclosed |
| US-RE40245-E1 | Gyrase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-04-15 | — | — | US | disclosed |
| EP-1341769-B1 | BACTERIAL GYRASE INHIBITORS AND USES THEREOF | VERTEX PHARMA (US) | 2007-10-17 | — | — | EP | disclosed |