Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.50 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.50 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.50 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.50 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | TGM2 | P21980 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9075691 | 1.00 | HTT (0.56) | HTTMEN1KMT2AHDAC3HDAC4 | |
| SCHEMBL4154315 | 0.88 | ALDH1A1 (0.52) | HTTMEN1KMT2AALDH1A1LMNA | |
| SCHEMBL4741712 | 0.88 | ALDH1A1 (0.52) | HTTMEN1KMT2AALDH1A1LMNA | |
| SCHEMBL8246719 | 0.88 | ALDH1A1 (0.52) | HTTMEN1KMT2AALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL4741714 | 0.86 | ALDH1A1 (0.51) | HTTMEN1KMT2AALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL4741718 | 0.86 | ALDH1A1 (0.51) | HTTMEN1KMT2AALDH1A1LMNA | |
| SCHEMBL28351994 | 0.84 | ALDH1A1 (0.54) | HTTMEN1KMT2AALDH1A1LMNA | |
| SCHEMBL21041192 | 0.84 | ALDH1A1 (0.54) | HTTMEN1KMT2AALDH1A1LMNA | |
| SCHEMBL8696499 | 0.80 | LTA4H (0.42) | MEN1KMT2AALDH1A1DPP4DPP8 | |
| SCHEMBL15548368 | 0.78 | HDAC3 (0.78) | HTTHDAC3HDAC4HDAC1HDAC7 |
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-5583146-A | Heterocyclic thrombin inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 1996-12-10 | — | — | US | disclosed |
| EP-0623596-A1 | N-acylpyrrolidines or N-acylpiperidines having a guanidinyl- or amidinyl-substituted side chain as thrombin inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 1994-11-09 | — | — | EP | disclosed |