Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.44 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6682726 | 0.81 | NAAA (0.50) | ALDH1A1CYP2D6CYP2C9CYP2C19KMT2A | |
| SCHEMBL10886546 | 0.80 | ALDH1A1 (0.56) | ALDH1A1CYP2C9CYP2C19KMT2ALMNA | |
| SCHEMBL16137501 | 0.80 | ALDH1A1 (0.56) | ALDH1A1CYP2C9CYP2C19KMT2ALMNA | |
| SCHEMBL15247513 | 0.80 | ALDH1A1 (0.56) | ALDH1A1CYP2C9CYP2C19KMT2ALMNA | |
| SCHEMBL6505023 | 0.79 | ALDH1A1 (0.55) | ALDH1A1KMT2ASMN1; SMN2HPGDTSHR | |
| SCHEMBL19090603 | 0.77 | SIGMAR1 (0.50) | KMT2A | |
| SCHEMBL8440945 | 0.77 | ADRB2 (0.55) | LMNAPKMHDAC3MAPK1ADRA1A | |
| SCHEMBL19024844 | 0.77 | ADRB2 (0.55) | LMNAPKMHDAC3MAPK1ADRA1A | |
| SCHEMBL1051 | 0.76 | LMNA (0.68) | ALDH1A1CYP2D6LMNAHDAC3MAPK1 | |
| SCHEMBL6559718 | 0.76 | ALDH1A1 (0.51) | ALDH1A1KMT2ACHRNB2CHRNB4CHRNA3 |
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-6310033-B1 | 2,4-DIMETHYL-5-PHENYLPENTANAL; PERFUMES | BUSH BOAKE ALLEN INC. | 2001-10-30 | — | — | US | disclosed |