Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.38 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.36 |
| ▸ | FEN1 | P39748 | 1/20 | 0.36 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6883723 | 0.92 | RNASEH1 (0.38) | ALDH1A1HPGDPOLBMAPTKDM4E | |
| SCHEMBL6875960 | 0.88 | RNASEH1 (0.44) | ALDH1A1MAPTKDM4ESMN1; SMN2PIN1 | |
| SCHEMBL6884737 | 0.86 | UBE2I (0.43) | ALDH1A1HPGDMAPTKDM4EPIN1 | |
| SCHEMBL6884889 | 0.84 | PIN1 (0.55) | PIN1ERCC1FEN1ERCC4 | |
| SCHEMBL6881498 | 0.82 | PIN1 (0.39) | PIN1ERCC1FEN1ERCC4 | |
| SCHEMBL6884690 | 0.81 | PIN1 (0.44) | ALDH1A1HPGDKDM4EPIN1TMIGD3 | |
| SCHEMBL6885506 | 0.81 | ALDH1A1 (0.46) | ALDH1A1HPGDMAPTKDM4ENPC1 | |
| SCHEMBL6885420 | 0.81 | PIN1 (0.40) | PIN1ERCC1FEN1ERCC4 | |
| SCHEMBL6883972 | 0.80 | PIN1 (0.48) | ALDH1A1HPGDKDM4ENPC1RAB9A | |
| SCHEMBL6883275 | 0.80 | RNASEH1 (0.40) | PIN1ERCC1FEN1ERCC4MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004096128-A2 | HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-11-11 | — | — | WO | claimed |
| WO-2004096128-A2 | HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-11-11 | — | — | WO | disclosed |