Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.61 |
| ▸ | RAB9A | P51151 | 2/20 | 0.61 |
| ▸ | ABL1 | P00519 | 1/20 | 0.57 |
| ▸ | DYRK1A | Q13627 | 8/20 | 0.55 |
| ▸ | WNT1 | P04628 | 6/20 | 0.54 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL14097410 | 0.96 | ABL1 (0.59) | NPC1RAB9AABL1DYRK1AWNT1 | |
| SCHEMBL14097550 | 0.82 | ABL1 (0.62) | ABL1DYRK1A | |
| SCHEMBL14097547 | 0.80 | ABL1 (0.86) | ABL1 | |
| SCHEMBL14097539 | 0.80 | NPC1 (0.56) | NPC1RAB9AABL1POLBSMN1; SMN2 | |
| SCHEMBL31265090 | 0.78 | ABL1 (0.60) | NPC1ABL1POLBKDM4ETP53 | |
| SCHEMBL14097546 | 0.78 | ABL1 (0.72) | ABL1 | |
| SCHEMBL9394577 | 0.77 | NPC1 (1.00) | NPC1RAB9APOLBSMN1; SMN2TDP1 | |
| SCHEMBL14395530 | 0.76 | ABL1 (0.68) | ABL1 | |
| SCHEMBL31265109 | 0.76 | ABL1 (0.62) | ABL1 | |
| SCHEMBL3830221 | 0.75 | ABL1 (0.61) | 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 |