Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | VCP | P55072 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | CFD | P00746 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | MITF | O75030 | 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 | |
|---|---|---|---|---|
| SCHEMBL27658680 | 0.85 | CYP1A2 (0.41) | ALDH1A1GAACYP1A2NCEH1TDP1 | |
| SCHEMBL31571840 | 0.81 | ALDH1A1 (0.46) | ALDH1A1GAATDP1SMN1; SMN2TSHR | |
| SCHEMBL31571894 | 0.81 | ALDH1A1 (0.48) | ALDH1A1GAATDP1SMN1; SMN2TSHR | |
| SCHEMBL9072461 | 0.80 | ALDH1A1 (0.50) | ALDH1A1GAACYP1A2TDP1SMN1; SMN2 | |
| SCHEMBL2111433 | 0.78 | MEN1 (0.51) | ALDH1A1GAACYP1A2SMN1; SMN2TSHR | |
| SCHEMBL3842471 | 0.78 | TDP1 (0.58) | ALDH1A1GAATDP1SMN1; SMN2TSHR | |
| SCHEMBL1068743 | 0.76 | SMN1; SMN2 (0.50) | ALDH1A1GAASMN1; SMN2TSHRMAPT | |
| SCHEMBL25294499 | 0.76 | CFD (0.43) | ALDH1A1GAATDP1SMN1; SMN2TSHR | |
| SCHEMBL6094640 | 0.76 | SRD5A1 (0.53) | ALDH1A1GAACYP1A2TDP1SMN1; SMN2 | |
| SCHEMBL823831 | 0.76 | SMN1; SMN2 (0.43) | ALDH1A1GAANCEH1TDP1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-100575330-C | Novel compounds | ASTRAZENECA AB | 2009-12-30 | — | — | CN | disclosed |
| CN-1791572-A | Novel compounds | ASTRAZENECA AB (SE) | 2006-06-21 | — | — | CN | disclosed |