Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | F2 | P00734 | 1/20 | 0.42 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL8402446 | 0.80 | ELANE (0.50) | TSHRTP53MAPTSMN1; SMN2ATM | |
| SCHEMBL949229 | 0.78 | CASP1 (0.69) | TSHRTP53CASP1MAPTHTT | |
| SCHEMBL7474328 | 0.71 | F2 (0.46) | TSHRTP53MAPTHTTSMN1; SMN2 | |
| SCHEMBL7334849 | 0.70 | KMT2A (0.42) | MAPTSMN1; SMN2ATMALDH1A1F2 | |
| SCHEMBL15676772 | 0.69 | GAA (0.73) | TP53MAPTHTTSMN1; SMN2GAA | |
| SCHEMBL27476686 | 0.69 | CASP1 (0.61) | TSHRTP53CASP1SMN1; SMN2GAA | |
| SCHEMBL7483874 | 0.69 | HDAC1 (0.41) | MAPTSMN1; SMN2ALDH1A1F2PRSS1 | |
| SCHEMBL948489 | 0.68 | CASP1 (0.70) | CASP1MAPTHTTSMN1; SMN2RAB9A | |
| SCHEMBL28553513 | 0.68 | TSHR (0.60) | TSHRMAPTHTTGAARAB9A | |
| SCHEMBL10307779 | 0.68 | ALDH1A1 (0.74) | TSHRMAPTHTTSMN1; SMN2GAA |
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 |
|---|---|---|---|---|---|---|---|
| US-5973111-A | NOVEL COMPOUNDS THAT ARE CAPABLE OF BINDING TO THE ACTIVE SITE OF INTERLEUKIN-1B-CONVERTING ENZYME (ICE) AND INHIBITING ACTIVITY OF THAT ENZYME; ADMINISTERING TO TREAT INFLAMMATORY, AUTOIMMUNE, AND NEURODEGENERATIVE DISEASES | VERTEX PHARMACEUTICALS, INC. (US) | 1999-10-26 | — | — | US | disclosed |