Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.63 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.63 |
| ▸ | CES2 | O00748 | 1/20 | 0.57 |
| ▸ | CES1 | P23141 | 1/20 | 0.57 |
| ▸ | CTRC | Q99895 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | EGFR | P00533 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL31129157 | 0.92 | CYP2A6 (0.62) | CYP2A6TDP1KDM4ENPC1SMN1; SMN2 | |
| SCHEMBL2614267 | 0.92 | CYP2A6 (0.62) | CYP2A6TDP1KDM4ENPC1SMN1; SMN2 | |
| SCHEMBL9099287 | 0.92 | CYP2A6 (0.62) | CYP2A6TDP1KDM4ENPC1SMN1; SMN2 | |
| Beta-Naphtoic Acid SCHEMBL31243037 | 0.91 | CES2 (0.59) | TDP1CES2CES1CTRCKDM4E | |
| SCHEMBL6914530 | 0.90 | CYP2A6 (0.60) | CYP2A6TDP1KDM4ENPC1SMN1; SMN2 | |
| SCHEMBL6913129 | 0.90 | CYP2A6 (0.60) | CYP2A6TDP1KDM4ENPC1SMN1; SMN2 | |
| SCHEMBL6914791 | 0.90 | CYP2A6 (0.60) | CYP2A6TDP1KDM4ENPC1SMN1; SMN2 | |
| SCHEMBL6918038 | 0.90 | CYP2A6 (0.60) | CYP2A6TDP1KDM4ENPC1SMN1; SMN2 | |
| SCHEMBL6915893 | 0.90 | CYP2A6 (0.60) | CYP2A6TDP1KDM4ENPC1SMN1; SMN2 | |
| SCHEMBL3390868 | 0.90 | CYP2A6 (0.71) | CYP2A6TDP1CTRCKDM4ENPC1 |
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-0707656-A1 | BIOTECHNOLOGICAL PROCESS FOR PRODUCING ALCOHOLS, ALDEHYDES AND CARBOXYLIC ACIDS | BASF AKTIENGESELLSCHAFT (DE) | 1996-04-24 | — | — | EP | disclosed |
| WO-1995002061-A1 | BIOTECHNOLOGICAL PROCESS FOR PRODUCING ALCOHOLS, ALDEHYDES AND CARBOXYLIC ACIDS | BASF AKTIENGESELLSCHAFT (DE) | 1995-01-19 | — | — | WO | disclosed |