Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.38 |
| ▸ | SLC16A1 | P53985 | 1/20 | 0.38 |
| ▸ | MCTS1 | Q9ULC4 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5860147 | 0.94 | ALDH1A1 (0.41) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL10806978 | 0.84 | PIN1 (0.41) | ALDH1A1HPGDPIN1KMT2ANPSR1 | |
| SCHEMBL7788753 | 0.78 | ALDH1A1 (0.40) | ALDH1A1PIN1MAPTNPC1RAB9A | |
| SCHEMBL7785009 | 0.74 | ALDH1A1 (0.41) | ALDH1A1HPGDKMT2ANPSR1MAPT | |
| SCHEMBL29277129 | 0.73 | ALDH1A1 (0.48) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL11430256 | 0.73 | ALDH1A1 (0.49) | ALDH1A1PIN1NPSR1RECQLMMP8 | |
| SCHEMBL3458134 | 0.72 | PIN1 (0.42) | ALDH1A1HPGDCYP1A2CYP3A4PIN1 | |
| SCHEMBL5861419 | 0.71 | MAPT (0.40) | ALDH1A1KMT2AMAPTRAB9ALMNA | |
| SCHEMBL11024141 | 0.71 | TSHR (0.41) | ALDH1A1HPGDCYP1A2CYP3A4PIN1 | |
| SCHEMBL9733628 | 0.70 | CHRM2 (0.38) | ALDH1A1PIN1KMT2AMAPTPKM |
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 |
|---|---|---|---|---|---|---|---|
| EP-1140784-A2 | ION CHANNEL MODULATING AGENTS | NEUROSEARCH A/S (DK) | 2001-10-10 | — | — | EP | claimed |
| WO-2000037422-A2 | ION CHANNEL MODULATING AGENTS | NEUROSEARCH A/S (DK) | 2000-06-29 | — | — | WO | claimed |