Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | PDE2A | O00408 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL631807 | 0.90 | ALDH1A1 (0.47) | ALDH1A1TDP1TSHRMAPK1RAB9A | |
| SCHEMBL3404366 | 0.82 | ALDH1A1 (0.53) | ALDH1A1HSP90AB1TDP1RAB9ACALM1 | |
| SCHEMBL30665479 | 0.81 | MPO (0.45) | ALDH1A1HSP90AB1TDP1TSHRMAPK1 | |
| SCHEMBL15912796 | 0.81 | MPO (0.45) | ALDH1A1HSP90AB1TDP1TSHRMAPK1 | |
| SCHEMBL3718901 | 0.79 | HSP90AB1 (0.74) | ALDH1A1HSP90AB1SMN1; SMN2ADCY10 | |
| SCHEMBL604508 | 0.79 | ALDH1A1 (0.50) | ALDH1A1HSP90AB1RAB9ANPC1CALM1 | |
| SCHEMBL4263063 | 0.78 | SMN1; SMN2 (0.49) | ALDH1A1TDP1TSHRMAPK1RAB9A | |
| SCHEMBL2614741 | 0.76 | CALM1 (0.61) | ALDH1A1TDP1TSHRMAPK1RAB9A | |
| SCHEMBL2369913 | 0.75 | CALM1 (0.55) | ALDH1A1HSP90AB1CALM1MEN1KMT2A | |
| SCHEMBL1390574 | 0.75 | CALM1 (0.48) | ALDH1A1TDP1TSHRMAPK1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-5332745-A | Fungicides | SHELL RESEARCH LIMITED (GB) | 1994-07-26 | — | — | US | disclosed |
| EP-0469685-A1 | Tetrahydropyrimidine derivatives | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1992-02-05 | — | — | EP | disclosed |