Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 4/20 | 0.42 |
| ▸ | TTR | P02766 | 1/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.36 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.36 |
| ▸ | IDH1 | O75874 | 1/20 | 0.35 |
| ▸ | ERN1 | O75460 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8939769 | 0.88 | LTA4H (0.42) | LTA4HALDH1A1HTTKDM4ESMN1; SMN2 | |
| SCHEMBL8190525 | 0.88 | MEN1 (0.47) | TTRALDH1A1HTTKDM4ESMN1; SMN2 | |
| SCHEMBL8939773 | 0.86 | KDM4E (0.41) | LTA4HALDH1A1KDM4ESMN1; SMN2L3MBTL1 | |
| SCHEMBL8939758 | 0.80 | APP (0.41) | ALDH1A1 | |
| SCHEMBL6160386 | 0.75 | ABCB1 (0.44) | SMN1; SMN2 | |
| SCHEMBL7746427 | 0.72 | HTR2A (0.42) | — | |
| SCHEMBL6161069 | 0.72 | ALDH1A1 (0.42) | ALDH1A1KDM4ESMN1; SMN2L3MBTL1KMT2A | |
| SCHEMBL7746382 | 0.71 | TDP1 (0.40) | L3MBTL1 | |
| SCHEMBL8939724 | 0.71 | MAOB (0.44) | SMN1; SMN2 | |
| SCHEMBL8939736 | 0.71 | TUBB4A (0.50) | ALDH1A1KDM4EL3MBTL1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-5516797-A | SUPPRESSING GRAFT REJECTION | VERTEX PHARMACEUTICALS, INCORPORATED (US) | 1996-05-14 | — | — | US | disclosed |
| US-5330993-A | Immunosuppressive compounds | VERTEX PHARMACEUTICALS, INC. (US) | 1994-07-19 | — | — | US | disclosed |