Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
| ▸ | RAD52 | P43351 | 1/20 | 0.37 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 5/20 | 0.37 |
| ▸ | CFB | P00751 | 2/20 | 0.33 |
| ▸ | MITF | O75030 | 1/20 | 0.33 |
| ▸ | TTBK1 | Q5TCY1 | 2/20 | 0.32 |
| ▸ | TTBK2 | Q6IQ55 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | AXL | P30530 | 1/20 | 0.32 |
| ▸ | PRKCI | P41743 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | JAK1 | P23458 | 1/20 | 0.32 |
| ▸ | TYK2 | P29597 | 1/20 | 0.32 |
| ▸ | JAK3 | P52333 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10292445 | 0.82 | PIK3C3 (0.39) | ABL1RAD52RIN1BRD4CFB | |
| SCHEMBL1473221 | 0.82 | BRD4 (0.40) | ABL1RAD52RIN1BRD4CFB | |
| Hydrochloric Acid SCHEMBL3558795 | 0.81 | BRD4 (0.39) | ABL1RAD52RIN1BRD4CFB | |
| SCHEMBL3570127 | 0.81 | BRD4 (0.36) | ABL1RAD52RIN1BRD4CFB | |
| SCHEMBL1473430 | 0.81 | DYRK1A (0.41) | BRD4CFBKDM4EALDH1A1HPGD | |
| SCHEMBL1472560 | 0.81 | BRD4 (0.37) | ABL1RAD52RIN1BRD4CFB | |
| Hydrochloric Acid SCHEMBL17843977 | 0.78 | BRD4 (0.36) | ABL1RAD52RIN1BRD4CFB | |
| SCHEMBL1473045 | 0.78 | CFB (0.40) | BRD4CFBKDM4EHPGD | |
| SCHEMBL12751211 | 0.77 | BRD4 (0.34) | ABL1RAD52RIN1BRD4CFB | |
| SCHEMBL12751214 | 0.76 | CDK9 (0.39) | CFBKDM4EALDH1A1HPGDRECQL |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2313408-B1 | DIKETOPIPERIDINE DERIVATIVES AS HIV ATTACHMENT INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2012-07-11 | — | — | EP | disclosed |