Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 5/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8991727 | 0.91 | ALDH1A1 (0.47) | ALDH1A1TDP1NPSR1TSHRATM | |
| SCHEMBL8582219 | 0.88 | ALDH1A1 (0.51) | ALDH1A1TDP1NPSR1TSHRATM | |
| SCHEMBL17449654 | 0.88 | ALDH1A1 (0.54) | ALDH1A1TDP1NPSR1TSHRATM | |
| SCHEMBL14521249 | 0.86 | ALDH1A1 (0.47) | ALDH1A1TDP1NPSR1TSHRATM | |
| SCHEMBL12313881 | 0.85 | ALDH1A1 (0.49) | ALDH1A1TDP1NPSR1TSHRATM | |
| SCHEMBL12313873 | 0.82 | TSHR (0.47) | ALDH1A1TDP1NPSR1TSHRATM | |
| SCHEMBL14077567 | 0.82 | ALDH1A1 (0.53) | ALDH1A1TDP1NPSR1TSHRATM | |
| SCHEMBL11690528 | 0.81 | ALDH1A1 (0.49) | ALDH1A1TDP1NPSR1TSHRATM | |
| SCHEMBL2789982 | 0.81 | TDP1 (0.51) | ALDH1A1TDP1NPSR1TSHRHPGD | |
| SCHEMBL16924939 | 0.80 | ALDH1A1 (0.47) | ALDH1A1TDP1NPSR1TSHRATM |
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 |