Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 9/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.43 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.36 |
| ▸ | AKR1C4 | P17516 | 2/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10529362 | 0.84 | ALDH1A1 (0.60) | ALDH1A1TDP1TSHRMAPTSMN1; SMN2 | |
| SCHEMBL109353 | 0.82 | TDP1 (0.67) | ALDH1A1TDP1TSHRMAPTAKR1C3 | |
| SCHEMBL5181747 | 0.79 | MAPK1 (0.57) | ALDH1A1TDP1MAPTSMN1; SMN2AKR1C3 | |
| SCHEMBL127397 | 0.78 | MAPT (0.57) | ALDH1A1TDP1MAPTSMN1; SMN2AKR1C3 | |
| SCHEMBL10531646 | 0.76 | TDP1 (0.61) | ALDH1A1TDP1TSHRMAPTSMN1; SMN2 | |
| SCHEMBL10693170 | 0.75 | ALDH1A1 (0.88) | ALDH1A1TDP1TSHRMAPTSMN1; SMN2 | |
| Hc Blue No. 1 SCHEMBL29683680 | 0.74 | ALDH1A1 (0.73) | ALDH1A1TDP1TSHRMAPTSMN1; SMN2 | |
| Hc Blue No. 1 SCHEMBL2467623 | 0.74 | ALDH1A1 (0.73) | ALDH1A1TDP1TSHRMAPTSMN1; SMN2 | |
| SCHEMBL16210923 | 0.74 | ALDH1A1 (0.73) | ALDH1A1TDP1TSHRMAPTSMN1; SMN2 | |
| SCHEMBL5694582 | 0.73 | ALDH1A1 (0.68) | ALDH1A1TDP1TSHRMAPTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0280187-B1 | HAIR DYEING COMPOSITIONS WITH DIRECT-DYEING NITRO-DIPHENYL AMINE DERIVATIVES | Henkel Kommanditgesellschaft auf Aktien (DE) | 1992-01-02 | — | — | EP | disclosed |