Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.56 |
| ▸ | CA1 | P00915 | 2/20 | 0.56 |
| ▸ | CA2 | P00918 | 2/20 | 0.56 |
| ▸ | CA9 | Q16790 | 2/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MGLL | Q99685 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL27346972 | 0.93 | CA12 (0.59) | CA12CA1CA2CA9HTT | |
| SCHEMBL7415486 | 0.90 | CA12 (0.56) | CA12CA1CA2CA9HTT | |
| SCHEMBL7105678 | 0.89 | TDP1 (0.57) | CA12CA1CA2CA9HTT | |
| SCHEMBL27501720 | 0.89 | CA12 (0.55) | CA12CA1CA2CA9HTT | |
| SCHEMBL28337555 | 0.89 | HTT (0.57) | CA12CA1CA2CA9HTT | |
| SCHEMBL19692991 | 0.89 | CA12 (0.55) | CA12CA1CA2CA9HTT | |
| SCHEMBL8061583 | 0.88 | CA12 (0.54) | CA12CA1CA2CA9HTT | |
| SCHEMBL27529913 | 0.88 | CA12 (0.54) | CA12CA1CA2CA9HTT | |
| SCHEMBL27592314 | 0.85 | ALDH1A1 (0.66) | CA12CA1CA2CA9HTT | |
| SCHEMBL7378816 | 0.85 | CA12 (0.58) | CA12CA1CA2CA9HTT |
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-1049693-A1 | 1,3,4-THIADIAZOLES AND 1,3,4-OXADIAZOLES AS $g(a) v?$g(b) 3? ANTAGONISTS | Du Pont Pharmaceuticals Company (US) | 2000-11-08 | — | — | EP | disclosed |
| WO-1999026945-A1 | 1,3,4-THIADIAZOLES AND 1,3,4-OXADIAZOLES AS αvβ3 ANTAGONISTS | DU PONT PHARMACEUTICALS COMPANY (US) | 1999-06-03 | — | — | WO | disclosed |