Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | NPC1 | O15118 | 3/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.30 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.30 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.30 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL4242135 | 0.80 | CHRNB2 (0.36) | TSHRKMT2A | |
| SCHEMBL25787677 | 0.72 | TP53 (0.46) | TP53CYP3A4TSHRTDP1CREBBP | |
| SCHEMBL8004815 | 0.72 | F2 (0.40) | CYP3A4MEN1KMT2ANPC1RAB9A | |
| SCHEMBL28995925 | 0.69 | PLA2G2A (0.51) | TP53CYP3A4TSHRTDP1CREBBP | |
| SCHEMBL7043105 | 0.69 | TP53 (0.61) | TP53CYP3A4TSHRTDP1MEN1 | |
| SCHEMBL2153419 | 0.69 | TP53 (0.61) | TP53CYP3A4TSHRTDP1MEN1 | |
| SCHEMBL7519261 | 0.69 | TAAR1 (0.50) | NPC1RAB9APRSS1PRSS2PRSS3 | |
| SCHEMBL7067559 | 0.68 | HDAC1 (0.34) | — | |
| SCHEMBL365734 | 0.68 | MKNK2 (0.37) | CYP3A4 | |
| SCHEMBL2381523 | 0.67 | NPC1 (0.57) | TP53CYP3A4TDP1CREBBPMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1171127-A2 | PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDINE OR PYRIMIDINE DERIVATIVES FOR INHIBITION OF CYTOKINE PRODUCTION AND SECRETION | Targacept, Inc. (US) | 2002-01-16 | — | — | EP | disclosed |
| WO-2000062767-A2 | PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDINE OR PYRIMIDINE DERIVATES FOR INHIBITION OF CYTOKINE PRODUCTION AND SECRETION | TARGACEPT, INC. (US) | 2000-10-26 | — | — | WO | disclosed |