Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16551763 | 1.00 | ALDH1A1 (0.39) | ALDH1A1HSD17B10THRBCES2CES1 | |
| SCHEMBL789200 | 1.00 | ALDH1A1 (0.39) | ALDH1A1HSD17B10THRBCES2CES1 | |
| SCHEMBL7203910 | 1.00 | ALDH1A1 (0.39) | ALDH1A1HSD17B10THRBCES2CES1 | |
| SCHEMBL893497 | 1.00 | ALDH1A1 (0.39) | ALDH1A1HSD17B10THRBCES2CES1 | |
| SCHEMBL893629 | 1.00 | ALDH1A1 (0.39) | ALDH1A1HSD17B10THRBCES2CES1 | |
| SCHEMBL15353382 | 1.00 | ALDH1A1 (0.39) | ALDH1A1HSD17B10THRBCES2CES1 | |
| SCHEMBL893278 | 0.95 | ALDH1A1 (0.36) | ALDH1A1HSD17B10THRBCES2CES1 | |
| SCHEMBL29875012 | 0.95 | ALDH1A1 (0.36) | ALDH1A1HSD17B10THRBCES2CES1 | |
| SCHEMBL29957547 | 0.95 | ALDH1A1 (0.36) | ALDH1A1HSD17B10THRBCES2CES1 | |
| SCHEMBL893491 | 0.95 | ALDH1A1 (0.42) | ALDH1A1HSD17B10THRBMEN1KMT2A |
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-5478728-A | Using bicyclo(2.21)heptane or bicyclo(2.2.2)octane compounds | THE SCRIPPS RESEARCH INSTITUTE (US) | 1995-12-26 | — | — | US | disclosed |
| US-5413990-A | N-terminus modified analogs of LHRH | TAP PHARMACEUTICALS INC. (US) | 1995-05-09 | — | — | US | disclosed |