Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 7/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | DPP4 | P27487 | 2/20 | 0.42 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.42 |
| ▸ | DPP9 | Q86TI2 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL461427 | 0.90 | RXFP1 (0.43) | NPSR1KMT2AABCB1HPGDKDM4E | |
| SCHEMBL12079175 | 0.83 | ABCB1 (0.44) | NPSR1KMT2AABCB1HPGDKDM4E | |
| SCHEMBL463059 | 0.81 | DPP4 (0.52) | NPSR1KMT2AABCB1HPGDKDM4E | |
| SCHEMBL461832 | 0.80 | NR1I2 (0.49) | NPSR1KMT2AABCB1HPGDKDM4E | |
| SCHEMBL462611 | 0.80 | NR1I2 (0.49) | NPSR1KMT2AABCB1HPGDKDM4E | |
| SCHEMBL461151 | 0.79 | ABCB1 (0.43) | NPSR1KMT2AABCB1HPGDKDM4E | |
| SCHEMBL461150 | 0.79 | ABCB1 (0.43) | NPSR1KMT2AABCB1HPGDKDM4E | |
| SCHEMBL462882 | 0.77 | NR1I2 (0.42) | NPSR1KMT2AABCB1HPGDKDM4E | |
| SCHEMBL461015 | 0.77 | NR1I2 (0.42) | NPSR1KMT2AABCB1HPGDKDM4E | |
| SCHEMBL462683 | 0.77 | KDM4E (0.49) | NPSR1KMT2AHPGDKDM4EALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2614064-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | Bristol-Myers Squibb Company (US) | 2013-07-17 | — | — | EP | disclosed |
| WO-2012033735-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-15 | — | — | WO | disclosed |