Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.78 |
| ▸ | MAPT | P10636 | 5/20 | 0.68 |
| ▸ | MAOB | P27338 | 5/20 | 0.68 |
| ▸ | BCHE | P06276 | 3/20 | 0.68 |
| ▸ | LMNA | P02545 | 2/20 | 0.68 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.68 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.68 |
| ▸ | ACHE | P22303 | 1/20 | 0.68 |
| ▸ | RECQL | P46063 | 1/20 | 0.68 |
| ▸ | PLIN5 | Q00G26 | 1/20 | 0.68 |
| ▸ | ABHD5 | Q8WTS1 | 1/20 | 0.68 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.66 |
| ▸ | ESR1 | P03372 | 1/20 | 0.66 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.66 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.66 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.66 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.66 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.66 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.66 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.66 |
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 | |
|---|---|---|---|---|
| SCHEMBL19397673 | 0.95 | CYP1B1 (0.81) | CYP1B1MAPTMAOBBCHELMNA | |
| SCHEMBL15502038 | 0.95 | CYP1B1 (0.81) | CYP1B1MAPTMAOBBCHELMNA | |
| SCHEMBL658482 | 0.95 | CYP1B1 (0.86) | CYP1B1MAPTMAOBBCHELMNA | |
| SCHEMBL658481 | 0.95 | CYP1B1 (0.86) | CYP1B1MAPTMAOBBCHELMNA | |
| SCHEMBL5873125 | 0.95 | CYP1B1 (0.86) | CYP1B1MAPTMAOBBCHELMNA | |
| SCHEMBL15502051 | 0.93 | CYP1B1 (0.90) | CYP1B1MAPTMAOBBCHELMNA | |
| SCHEMBL17694974 | 0.91 | ESR1 (0.77) | CYP1B1MAPTMAOBTNFRSF1ARECQL | |
| SCHEMBL13680426 | 0.91 | CYP1B1 (0.81) | CYP1B1MAPTMAOBBCHELMNA | |
| SCHEMBL657749 | 0.90 | MAPT (0.78) | CYP1B1MAPTMAOBBCHELMNA | |
| SCHEMBL657748 | 0.90 | MAPT (0.78) | CYP1B1MAPTMAOBBCHELMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003050105-A2 | CATALYTIC ASYMMETRIC SYNTHESIS OF OPTICALLY ACTIVE COMPOUNDS | CHEMINOVA A/S (DK) | 2003-06-19 | — | — | WO | disclosed |