Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL11552403 | 0.98 | ALDH1A1 (0.40) | HPGDMAPTALDH1A1TSHRLMNA | |
| SCHEMBL11547780 | 0.86 | L3MBTL1 (0.36) | HPGDMAPTALDH1A1SMN1; SMN2L3MBTL1 | |
| SCHEMBL7962153 | 0.85 | MAPT (0.41) | HPGDMAPTALDH1A1TSHRLMNA | |
| SCHEMBL11547056 | 0.85 | TSHR (0.57) | HPGDMAPTALDH1A1TSHRLMNA | |
| SCHEMBL7975645 | 0.84 | ALDH1A1 (0.40) | HPGDMAPTALDH1A1TSHRLMNA | |
| SCHEMBL11546593 | 0.75 | OPRK1 (0.36) | ALDH1A1TSHRGAAHTT | |
| SCHEMBL6331933 | 0.75 | MAPT (0.62) | HPGDMAPTALDH1A1TSHRLMNA | |
| SCHEMBL1819086 | 0.73 | MAPT (0.61) | HPGDMAPTALDH1A1TSHRLMNA | |
| SCHEMBL2223429 | 0.72 | TSHR (0.63) | MAPTALDH1A1TSHRLMNAGAA | |
| SCHEMBL3635136 | 0.72 | TSHR (0.63) | MAPTALDH1A1TSHRLMNAGAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4136187-A | CORONARY VESSEL DILATORS | BAYER AKTIENGESELLSCHAFT (DE) | 1979-01-23 | — | — | US | disclosed |
| US-4004014-A | VASODILATION, HYPOTENSIVE, ANTIARRHYTHMIA, SPASMOLYTIC | BAYER AKTIENGESELLSCHAFT (DT) | 1977-01-18 | — | — | US | disclosed |
| US-3959292-A | HYPOTENSIVE AGENTS, CORONARY DILATORS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-05-25 | — | — | US | disclosed |