Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.71 |
| ▸ | HPGD | P15428 | 4/20 | 0.71 |
| ▸ | GAA | P10253 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.57 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.56 |
| ▸ | USP2 | O75604 | 1/20 | 0.56 |
| ▸ | CDK4 | P11802 | 2/20 | 0.51 |
| ▸ | CCND1 | P24385 | 2/20 | 0.51 |
| ▸ | CDK2 | P24941 | 1/20 | 0.51 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.50 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.50 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | GSK3B | P49841 | 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 | |
|---|---|---|---|---|
| SCHEMBL1003249 | 0.88 | ALDH1A1 (0.58) | MAPTALDH1A1HPGDL3MBTL1CDK4 | |
| SCHEMBL14518464 | 0.86 | HDAC4 (0.51) | MAPTALDH1A1HPGDSMN1; SMN2L3MBTL1 | |
| SCHEMBL1221812 | 0.84 | MAPT (0.59) | MAPTALDH1A1HPGDGAAKDM4E | |
| SCHEMBL4444933 | 0.83 | HPGD (1.00) | MAPTALDH1A1HPGDGAAKDM4E | |
| SCHEMBL28352245 | 0.82 | ALDH1A1 (0.52) | MAPTALDH1A1HPGDSMN1; SMN2TRPM8 | |
| SCHEMBL2047793 | 0.80 | HPGD (0.63) | MAPTALDH1A1HPGDGAAKDM4E | |
| SCHEMBL25420432 | 0.80 | ALDH1A1 (0.69) | MAPTALDH1A1HPGDGAAKDM4E | |
| SCHEMBL1221521 | 0.80 | ALDH1A1 (0.54) | MAPTALDH1A1HPGDGAAKDM4E | |
| Trifluoroacetic Acid SCHEMBL5614997 | 0.79 | MLYCD (0.52) | MAPTALDH1A1HPGDHDAC4 | |
| SCHEMBL23169174 | 0.79 | MAPT (0.61) | MAPTALDH1A1HPGDGAAKDM4E |
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-9388193-B2 | Dipicolylamine derivatives and their pharmaceutical uses | NATIONAL HEALTH RESEARCH INSTITUTES (TW) | 2016-07-12 | — | — | US | disclosed |
| WO-2015179299-A1 | DIPICOLYLAMINE DERIVATIVES AND THEIR PHARMACEUTICAL USES | MOLECULAR TARGETING TECHNOLOGIES, INC. (US) | 2015-11-26 | — | — | WO | disclosed |