Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14521249 | 0.95 | ALDH1A1 (0.47) | ALDH1A1TDP1TSHRNPSR1CNR1 | |
| SCHEMBL8991694 | 0.91 | ALDH1A1 (0.54) | ALDH1A1TDP1TSHRNPSR1CNR1 | |
| SCHEMBL27973096 | 0.83 | CA5B (0.50) | ALDH1A1TDP1KDM4ELMNACA12 | |
| SCHEMBL6844471 | 0.83 | CA5B (0.50) | ALDH1A1TDP1KDM4ELMNACA12 | |
| SCHEMBL12313873 | 0.81 | TSHR (0.47) | ALDH1A1TDP1TSHRNPSR1CNR1 | |
| SCHEMBL16749952 | 0.81 | PAOX (0.42) | ALDH1A1TDP1SMN1; SMN2KDM4EL3MBTL1 | |
| SCHEMBL12313881 | 0.81 | ALDH1A1 (0.49) | ALDH1A1TDP1TSHRNPSR1CNR1 | |
| SCHEMBL8582219 | 0.80 | ALDH1A1 (0.51) | ALDH1A1TDP1TSHRNPSR1CNR1 | |
| SCHEMBL17449654 | 0.80 | ALDH1A1 (0.54) | ALDH1A1TDP1TSHRNPSR1CNR1 | |
| SCHEMBL16489221 | 0.78 | TSHR (0.66) | ALDH1A1TSHRCNR1HPGDHTT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5508388-A | REACTING DIETHYLENETRIAMINEPENTAACETIC ACID WITH ACETIC ANHYDRIDE, REACTING WITH PRIMARY OR SECONDARY AMINE TO FORM COMPLEXING AGENT, REACTING WITH PARAMAGNETIC METAL ION TO FORM COMPLEX, FILTERING, CRYSTALLIZING | MALLINCKRODT MEDICAL, INC. (US) | 1996-04-16 | — | — | US | claimed |