Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.56 |
| ▸ | RAB9A | P51151 | 4/20 | 0.55 |
| ▸ | HPGD | P15428 | 3/20 | 0.55 |
| ▸ | NPC1 | O15118 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 4/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.51 |
| ▸ | MEN1 | O00255 | 4/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.51 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.48 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.48 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL8411536 | 0.90 | RAB9A (0.61) | SMN1; SMN2GAARAB9AHPGDNPC1 | |
| SCHEMBL8412806 | 0.89 | GAA (0.61) | SMN1; SMN2GAARAB9AHPGDNPC1 | |
| SCHEMBL8409841 | 0.89 | SMN1; SMN2 (0.48) | SMN1; SMN2GAARAB9AHPGDNPC1 | |
| SCHEMBL8410207 | 0.89 | RAB9A (0.56) | SMN1; SMN2GAARAB9AHPGDNPC1 | |
| SCHEMBL8411677 | 0.89 | ADRB1 (0.57) | SMN1; SMN2RAB9AHPGDNPC1MAPT | |
| SCHEMBL8700685 | 0.86 | EPHX2 (0.54) | SMN1; SMN2RAB9AHPGDNPC1MAPT | |
| SCHEMBL1304060 | 0.83 | SMN1; SMN2 (0.55) | SMN1; SMN2RAB9AHPGDNPC1MAPT | |
| SCHEMBL8412730 | 0.83 | SMN1; SMN2 (0.47) | SMN1; SMN2RAB9AHPGDNPC1MAPT | |
| SCHEMBL14273066 | 0.82 | L3MBTL1 (0.53) | GAAHPGDMAPTALDH1A1KMT2A | |
| SCHEMBL2514423 | 0.82 | FFAR1 (0.53) | GAARAB9AHPGDNPC1MAPT |
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 |