Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA5 | P22460 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ANPEP | P15144 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | MGLL | Q99685 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL39895 | 0.95 | — | — | |
| Propionamide SCHEMBL27586346 | 0.78 | KDM4E (0.46) | ALDH1A1KMT2ASMN1; SMN2LMNAMAPT | |
| SCHEMBL1671570 | 0.75 | ALDH1A1 (0.33) | KCNA5ALDH1A1KMT2ASMN1; SMN2LMNA | |
| SCHEMBL21447274 | 0.75 | ALDH1A1 (0.35) | KCNA5ALDH1A1KMT2ASMN1; SMN2LMNA | |
| SCHEMBL2313171 | 0.75 | KCNA5 (0.37) | KCNA5ALDH1A1KMT2ASMN1; SMN2LMNA | |
| SCHEMBL24091467 | 0.74 | SMN1; SMN2 (0.38) | ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL179841 | 0.74 | CYP2D6 (0.32) | DPP4 | |
| SCHEMBL7142061 | 0.74 | CYP2D6 (0.32) | DPP4 | |
| SCHEMBL20661653 | 0.74 | — | — | |
| SCHEMBL3416020 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998043962-A1 | HETEROCYCLIC INTEGRIN INHIBITOR PRODRUGS | DU PONT PHARMACEUTICALS COMPANY (US) | 1998-10-08 | — | — | WO | claimed |
| WO-1998043962-A1 | HETEROCYCLIC INTEGRIN INHIBITOR PRODRUGS | DU PONT PHARMACEUTICALS COMPANY (US) | 1998-10-08 | — | — | WO | disclosed |