Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 6/20 | 0.70 |
| ▸ | TXNRD1 | Q16881 | 3/20 | 0.52 |
| ▸ | GSR | P00390 | 1/20 | 0.52 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.50 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.50 |
| ▸ | MERTK | Q12866 | 1/20 | 0.48 |
| ▸ | CNR2 | P34972 | 1/20 | 0.45 |
| ▸ | APP | P05067 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4651284 | 0.86 | PIN1 (0.69) | PIN1TXNRD1GSRMERTKCNR2 | |
| SCHEMBL16931472 | 0.86 | PIN1 (0.55) | PIN1TXNRD1GSRCYP11B1CYP11B2 | |
| SCHEMBL8706594 | 0.81 | PIN1 (0.59) | PIN1TXNRD1CYP11B1CYP11B2CNR2 | |
| SCHEMBL26695971 | 0.79 | MERTK (0.51) | PIN1TXNRD1GSRMERTKAPP | |
| SCHEMBL16931267 | 0.79 | MERTK (0.58) | PIN1TXNRD1GSRMERTKAPP | |
| SCHEMBL14406964 | 0.79 | MERTK (0.58) | PIN1TXNRD1GSRMERTKSMN1; SMN2 | |
| SCHEMBL29361819 | 0.79 | MERTK (0.58) | PIN1TXNRD1GSRMERTKAPP | |
| SCHEMBL5795181 | 0.79 | RAB9A (0.60) | PIN1CYP11B1CYP11B2CNR2SMN1; SMN2 | |
| SCHEMBL16931290 | 0.77 | PIN1 (0.51) | PIN1TXNRD1GSRMERTKAPP | |
| SCHEMBL8706442 | 0.77 | PIN1 (0.55) | PIN1TXNRD1CYP11B1CYP11B2CNR2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1998045267-A1 | AMINOPYRIDINE DERIVATIVES FOR INFLAMMATORY AND MALIGNANT DISEASES | FERRING B.V. (NL) | 1998-10-15 | — | — | WO | disclosed |