Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | TDO2 | P48775 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.47 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.47 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.47 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.47 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.47 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3843612 | 0.86 | POLB (0.71) | CYP2C19CYP2C9CYP2D6POLBRAB9A | |
| SCHEMBL1559452 | 0.83 | POLB (0.51) | POLBRAB9ATDO2KDM4ELMNA | |
| SCHEMBL7652677 | 0.83 | CYP2C9 (0.50) | CYP2C19CYP2C9CYP2D6POLBRAB9A | |
| SCHEMBL1558352 | 0.81 | ALDH1A1 (0.69) | POLBRAB9ATDO2KDM4ELMNA | |
| SCHEMBL6446945 | 0.80 | CYP2C19 (0.73) | CYP2C19CYP2C9CYP2D6POLBRAB9A | |
| SCHEMBL7652683 | 0.79 | CYP2C9 (0.48) | CYP2C19CYP2C9CYP2D6POLBRAB9A | |
| SCHEMBL4247829 | 0.78 | CYP2C9 (0.52) | CYP2C19CYP2C9CYP2D6POLBRAB9A | |
| SCHEMBL11010527 | 0.77 | DRD2 (0.56) | POLBTDO2KDM4EALDH1A1MEN1 | |
| SCHEMBL7658624 | 0.77 | POLB (0.65) | CYP2C19CYP2C9CYP2D6POLBRAB9A | |
| SCHEMBL18324753 | 0.76 | HDAC1 (0.59) | TDO2ALDH1A1HDAC1HDAC6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6469006-B1 | PARTICULARLY FOR TREATING HIV INFECTIONS | BRISTOL-MYERS SQUIBB COMPANY | 2002-10-22 | — | — | US | disclosed |
| EP-1105135-A4 | ANTIVIRAL INDOLEOXOACETYL PIPERAZINE DERIVATIVES | BRISTOL MYERS SQUIBB CO (US) | 2001-12-12 | — | — | EP | disclosed |
| EP-1105135-A1 | ANTIVIRAL INDOLEOXOACETYL PIPERAZINE DERIVATIVES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2001-06-13 | — | — | EP | disclosed |
| WO-2000076521-A1 | ANTIVIRAL INDOLEOXOACETYL PIPERAZINE DERIVATIVES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2000-12-21 | — | — | WO | disclosed |