Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MITF | O75030 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 3/20 | 0.34 |
| ▸ | MAOB | P27338 | 3/20 | 0.34 |
| ▸ | BCHE | P06276 | 2/20 | 0.34 |
| ▸ | ACHE | P22303 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.34 |
| ▸ | LPAR5 | Q9H1C0 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6984991 | 1.00 | NPSR1 (0.42) | NPSR1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6076892 | 0.87 | NPSR1 (0.40) | NPSR1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6076896 | 0.87 | NPSR1 (0.40) | NPSR1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6413079 | 0.86 | NPSR1 (0.41) | NPSR1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6413074 | 0.86 | NPSR1 (0.41) | NPSR1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6412651 | 0.83 | ALDH1A1 (0.46) | ALDH1A1HDAC1HDAC6MAOAMAOB | |
| SCHEMBL6412647 | 0.83 | ALDH1A1 (0.46) | ALDH1A1HDAC1HDAC6MAOAMAOB | |
| SCHEMBL6411640 | 0.80 | PTPN1 (0.40) | KDM4EALDH1A1MITFHTTLPAR1 | |
| SCHEMBL6411635 | 0.80 | PTPN1 (0.40) | KDM4EALDH1A1MITFHTTLPAR1 | |
| SCHEMBL6879322 | 0.78 | NPSR1 (0.41) | NPSR1CYP1A2CYP2D6CYP2C9CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1322599-A2 | HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-07-02 | — | — | EP | disclosed |
| WO-2001096283-A9 | HIV INTEGRASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2002-10-17 | — | — | WO | disclosed |
| WO-2001096283-A2 | HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2001-12-20 | — | — | WO | disclosed |