Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 9/20 | 0.68 |
| ▸ | AKR1C2 | P52895 | 8/20 | 0.68 |
| ▸ | LMNA | P02545 | 4/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.67 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.67 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.67 |
| ▸ | TSHR | P16473 | 3/20 | 0.67 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.67 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.67 |
| ▸ | PMP22 | Q01453 | 3/20 | 0.63 |
| ▸ | AKR1C4 | P17516 | 2/20 | 0.63 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.63 |
| ▸ | MEN1 | O00255 | 2/20 | 0.63 |
| ▸ | MAPT | P10636 | 2/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.63 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.63 |
| ▸ | PTGES | O14684 | 1/20 | 0.63 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL8673748 | 0.86 | PTGS1 (0.60) | AKR1C3AKR1C2LMNACYP1A2CYP2C9 | |
| SCHEMBL10876035 | 0.84 | AKR1C3 (0.76) | AKR1C3AKR1C2LMNACYP1A2CYP2C9 | |
| SCHEMBL8645594 | 0.81 | AKR1C3 (1.00) | AKR1C3AKR1C2LMNACYP1A2CYP2C9 | |
| SCHEMBL31370521 | 0.81 | KDM4E (0.43) | AKR1C3AKR1C2LMNACYP1A2CYP2C9 | |
| SCHEMBL1082631 | 0.80 | HIF1A (1.00) | AKR1C3AKR1C2LMNACYP1A2CYP2C9 | |
| SCHEMBL2004993 | 0.80 | CNR2 (0.66) | AKR1C3AKR1C2LMNACYP1A2CYP2C9 | |
| SCHEMBL2600801 | 0.79 | AKR1C3 (1.00) | AKR1C3AKR1C2LMNACYP1A2CYP2C9 | |
| Hydrochloric Acid SCHEMBL8646699 | 0.79 | HIF1A (0.98) | AKR1C3AKR1C2LMNACYP1A2CYP2C9 | |
| SCHEMBL8649350 | 0.79 | AKR1C2 (0.67) | AKR1C3AKR1C2LMNACYP1A2CYP2C9 | |
| SCHEMBL2004647 | 0.79 | AKR1C3 (0.64) | AKR1C3AKR1C2LMNACYP1A2CYP2C9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7863294-B2 | Heterocycle derivatives as histone deacetylase (HDAC) inhibitors | INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2011-01-04 | — | — | US | disclosed |
| US-5756531-A | ANTIALLERGENS; ANTIINFLAMMATORY AGENTS | ABBOTT LABORATORIES (US) | 1998-05-26 | — | — | US | disclosed |
| US-5750558-A | ANTIALLERGENS, ANTIINFLAMMATORY AGENTS | ABBOTT LABORATORIES (US) | 1998-05-12 | — | — | US | disclosed |