Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.40 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.40 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.40 |
| ▸ | HPD | P32754 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7904468 | 1.00 | ALDH1A1 (0.49) | ALDH1A1MAPTLMNAHTTCYP3A4 | |
| SCHEMBL7905592 | 0.83 | ALDH1A1 (0.40) | ALDH1A1HPGDP2RX1 | |
| SCHEMBL7905588 | 0.83 | ALDH1A1 (0.40) | ALDH1A1HPGDP2RX1 | |
| SCHEMBL7903545 | 0.78 | ALDH1A1 (0.64) | ALDH1A1MAPTLMNAHTTCYP3A4 | |
| SCHEMBL9311399 | 0.78 | ALDH1A1 (0.50) | ALDH1A1MAPTLMNAHTTCYP3A4 | |
| SCHEMBL9311405 | 0.78 | ALDH1A1 (0.50) | ALDH1A1MAPTLMNAHTTCYP3A4 | |
| SCHEMBL7904464 | 0.72 | ALDH1A1 (0.49) | ALDH1A1MAPTLMNAHTTCYP3A4 | |
| SCHEMBL12329596 | 0.72 | ALDH1A1 (0.72) | ALDH1A1MAPTLMNACYP3A4TSHR | |
| SCHEMBL28575302 | 0.72 | ATM (0.43) | ALDH1A1HTTTDP1 | |
| SCHEMBL9015339 | 0.72 | ALDH1A1 (0.82) | ALDH1A1MAPTLMNAHTTCYP3A4 |
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-6201119-B1 | 2,3,4,5-TETRAHYDRO-1H-1,4-BENZODIAZEPIN-9-AMINE COMPOUNDS USEFUL AS INTERMEDIATES TO ANTIVIRALS | JANSSEN PHARMACEUTICA N.V. (BE) | 2001-03-13 | — | — | US | disclosed |