Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 4/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | CA2 | P00918 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | EGFR | P00533 | 2/20 | 0.43 |
| ▸ | FYN | P06241 | 2/20 | 0.43 |
| ▸ | MMP9 | P14780 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | CA4 | P22748 | 2/20 | 0.43 |
| ▸ | RECQL | P46063 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | GMNN | O75496 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29563390 | 0.80 | ALDH1A1 (0.52) | ALDH1A1TDP1TSHRLMNAALOX15 | |
| SCHEMBL584399 | 0.80 | ALDH1A1 (0.52) | ALDH1A1TDP1TSHRLMNAALOX15 | |
| SCHEMBL5407858 | 0.80 | ALDH1A1 (0.52) | ALDH1A1TDP1TSHRLMNAALOX15 | |
| SCHEMBL2096276 | 0.80 | ALDH1A1 (0.52) | ALDH1A1TDP1TSHRLMNAALOX15 | |
| SCHEMBL23202728 | 0.79 | ALDH1A1 (0.56) | ALDH1A1TDP1TSHRLMNAALOX15 | |
| SCHEMBL29492110 | 0.79 | ALDH1A1 (0.56) | ALDH1A1TDP1TSHRLMNAALOX15 | |
| SCHEMBL69460 | 0.79 | ALDH1A1 (0.56) | ALDH1A1TDP1TSHRLMNAALOX15 | |
| SCHEMBL1873962 | 0.78 | ALDH1A1 (0.50) | ALDH1A1TDP1TSHRLMNAALOX15 | |
| Hydrochloric Acid SCHEMBL29242576 | 0.77 | ALDH1A1 (0.54) | ALDH1A1TDP1TSHRLMNAALOX15 | |
| Potassium SCHEMBL29898272 | 0.77 | ALDH1A1 (0.54) | ALDH1A1TDP1TSHRLMNAALOX15 |
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-5846515-A | Calixarene conjugate diagnostic agents for computerized tomography and method for using same | MOLECULAR BIOSYSTEMS, INC. (US) | 1998-12-08 | — | — | US | disclosed |
| US-5622687-A | MOIETIES LINKED TO BACKBONE INCLUDE FLUORINE ATOMS, NITROXYL, METAL CHELATES AND/OR IODINE ATOMS | MOLECULAR BIOSYSTEMS, INC. (US) | 1997-04-22 | — | — | US | disclosed |