Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.46 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5191962 | 0.83 | ALDH1A1 (0.48) | TSHRUSP2ALDH1A1KDM4ETDP1 | |
| SCHEMBL5195093 | 0.82 | SMN1; SMN2 (0.49) | TSHRLMNAUSP2ALDH1A1KDM4E | |
| SCHEMBL179083 | 0.78 | LMNA (0.64) | TSHRLMNAUSP2ALDH1A1KDM4E | |
| SCHEMBL5192513 | 0.78 | MEN1 (0.54) | USP2ALDH1A1KDM4EKMT2AMEN1 | |
| SCHEMBL179020 | 0.77 | NPC1 (0.63) | TSHRLMNAUSP2ALDH1A1KDM4E | |
| SCHEMBL10447288 | 0.77 | LMNA (0.62) | TSHRLMNAUSP2ALDH1A1KDM4E | |
| SCHEMBL108267 | 0.77 | LMNA (0.62) | TSHRLMNAUSP2ALDH1A1KMT2A | |
| SCHEMBL6968326 | 0.77 | CYP3A4 (0.46) | ALDH1A1 | |
| SCHEMBL3559727 | 0.77 | LMNA (0.62) | TSHRLMNAUSP2ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL6132969 | 0.76 | CYP3A4 (0.45) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0968206-B8 | N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS | BERLEX INC (US) | 2007-01-24 | — | — | EP | disclosed |
| EP-0968206-A1 | N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS | BERLEX LABORATORIES, INC. (US) | 2000-01-05 | — | — | EP | disclosed |
| WO-1998037079-A1 | N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS | BERLEX LABORATORIES, INC. (US) | 1998-08-27 | — | — | WO | disclosed |