Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | ELANE | P08246 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | ACACB | O00763 | 4/20 | 0.43 |
| ▸ | ACACA | Q13085 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | PDE4A | P27815 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11698235 | 1.00 | MAPT (0.51) | MAPTGAAALDH1A1HSP90AA1LMNA | |
| SCHEMBL29401218 | 1.00 | MAPT (0.51) | MAPTGAAALDH1A1HSP90AA1LMNA | |
| Valine SCHEMBL11699886 | 0.89 | MAPT (0.42) | MAPTGAAALDH1A1HSP90AA1LMNA | |
| SCHEMBL11697241 | 0.85 | ATM (0.56) | ALDH1A1ACACBACACACYP3A4TSHR | |
| SCHEMBL11349043 | 0.82 | CTSS (0.51) | MAPTGAAALDH1A1HSP90AA1LMNA | |
| SCHEMBL6965264 | 0.79 | ACACB (0.60) | ACACBACACA | |
| SCHEMBL11693549 | 0.79 | FOLH1 (0.56) | MAPTALDH1A1CYP3A4ESR1TSHR | |
| SCHEMBL3376625 | 0.78 | SRC (0.52) | ALDH1A1LMNAPOLBKMT2AATM | |
| SCHEMBL627377 | 0.78 | SRC (0.52) | ALDH1A1LMNAPOLBKMT2AATM | |
| SCHEMBL4250144 | 0.78 | SRC (0.52) | ALDH1A1LMNAPOLBKMT2AATM |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0918768-B1 | AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS | C & C RES LAB (KR) | 2002-01-09 | — | — | EP | disclosed |
| US-6201006-B1 | ANTICOAGULANTS | C & C RESEARCH LABORATORIES (KR) | 2001-03-13 | — | — | US | disclosed |
| EP-0918768-A1 | AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS | C & C Research Laboratories (KR) | 1999-06-02 | — | — | EP | disclosed |
| WO-1997045424-A1 | AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS | C & C RESEARCH LABORATORIES (KR) | 1997-12-04 | — | — | WO | disclosed |