Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.51 |
| ▸ | RORC | P51449 | 2/20 | 0.50 |
| ▸ | MDH1 | P40925 | 1/20 | 0.50 |
| ▸ | MDH2 | P40926 | 1/20 | 0.50 |
| ▸ | PPARA | Q07869 | 1/20 | 0.48 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.47 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.47 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8412806 | 0.87 | GAA (0.61) | SMN1; SMN2RAB9ANPC1HPGDPSMB5 | |
| SCHEMBL8695260 | 0.86 | SMN1; SMN2 (0.56) | EPHX2SMN1; SMN2RAB9ANPC1HPGD | |
| SCHEMBL8411536 | 0.86 | RAB9A (0.61) | EPHX2SMN1; SMN2RAB9ANPC1HPGD | |
| SCHEMBL8411677 | 0.85 | ADRB1 (0.57) | EPHX2SMN1; SMN2RAB9ANPC1HPGD | |
| SCHEMBL8410207 | 0.85 | RAB9A (0.56) | SMN1; SMN2RAB9ANPC1HPGDNLRP3 | |
| SCHEMBL16379339 | 0.84 | PPARA (0.49) | PSMB5PPARAALDH1A1 | |
| SCHEMBL8409841 | 0.80 | SMN1; SMN2 (0.48) | SMN1; SMN2RAB9ANPC1HPGDNLRP3 | |
| SCHEMBL1304060 | 0.80 | SMN1; SMN2 (0.55) | SMN1; SMN2RAB9ANPC1HPGDMAPT | |
| SCHEMBL8412730 | 0.79 | SMN1; SMN2 (0.47) | SMN1; SMN2RAB9ANPC1HPGDRORC | |
| SCHEMBL2063998 | 0.78 | GAA (0.69) | EPHX2SMN1; SMN2RAB9ARORCMDH1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5731454-A | Allosteric modifiers of hemoglobin useful for decreasing oxygen affinity and preserving oxygen carrying capability of stored blood | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 1998-03-24 | — | — | US | disclosed |
| US-5705521-A | Use of allosteric hemoglobin modifiers in combination with radiation therapy to treat carcinogenic tumors | THE CENTER FOR INNOVATIVE TECHNOLOGY (US) | 1998-01-06 | — | — | US | disclosed |