Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | CES2 | O00748 | 4/20 | 0.50 |
| ▸ | CES1 | P23141 | 4/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11407221 | 0.90 | AKR1C3 (0.67) | AKR1C3CES2CES1KMT2AMAPT | |
| SCHEMBL351852 | 0.90 | AKR1C3 (0.67) | AKR1C3CES2CES1KMT2AMAPT | |
| SCHEMBL6064618 | 0.90 | AKR1C3 (0.67) | AKR1C3CES2CES1KMT2AMAPT | |
| SCHEMBL7701390 | 0.87 | CES2 (0.60) | AKR1C3CES2CES1KMT2AMAPT | |
| SCHEMBL7701386 | 0.87 | CES2 (0.60) | AKR1C3CES2CES1KMT2AMAPT | |
| SCHEMBL20415255 | 0.86 | CES2 (0.58) | AKR1C3CES2CES1KMT2AMAPT | |
| SCHEMBL532625 | 0.81 | AKR1C3 (0.77) | AKR1C3TP53KMT2AMAPTALDH1A1 | |
| SCHEMBL532624 | 0.81 | AKR1C3 (0.77) | AKR1C3TP53KMT2AMAPTALDH1A1 | |
| SCHEMBL14033731 | 0.79 | AKR1C1 (0.60) | AKR1C3TP53CES2CES1KMT2A | |
| SCHEMBL10478185 | 0.79 | ESRRG (0.54) | AKR1C3TP53KMT2AMAPTALDH1A1 |
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-7432400-B2 | Biphenylene compounds | CIBA SPECIALTY CHEMICALS CORP. (US) | 2008-10-07 | — | — | US | disclosed |
| US-7432400-B2 | Biphenylene compounds | CIBA SPECIALTY CHEMICALS CORP. (US) | 2008-10-07 | — | — | US | disclosed |