Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 2/20 | 0.35 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.33 |
| ▸ | TXNRD1 | Q16881 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | MMP8 | P22894 | 1/20 | 0.31 |
| ▸ | MMP13 | P45452 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | HSPB1 | P04792 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10433857 | 1.00 | VCAM1 (0.35) | VCAM1SRD5A2TXNRD1MEN1KMT2A | |
| SCHEMBL10433856 | 1.00 | VCAM1 (0.35) | VCAM1SRD5A2TXNRD1MEN1KMT2A | |
| SCHEMBL10433971 | 0.88 | VCAM1 (0.34) | VCAM1SRD5A2TXNRD1MEN1KMT2A | |
| SCHEMBL10434038 | 0.88 | VCAM1 (0.34) | VCAM1SRD5A2TXNRD1MEN1KMT2A | |
| SCHEMBL10433972 | 0.88 | VCAM1 (0.34) | VCAM1SRD5A2TXNRD1MEN1KMT2A | |
| SCHEMBL8979366 | 0.86 | KMT2A (0.40) | VCAM1TXNRD1MEN1KMT2AALDH1A1 | |
| SCHEMBL8979391 | 0.86 | KMT2A (0.40) | VCAM1TXNRD1MEN1KMT2AALDH1A1 | |
| SCHEMBL8979389 | 0.86 | KMT2A (0.40) | VCAM1TXNRD1MEN1KMT2AALDH1A1 | |
| SCHEMBL10434023 | 0.84 | ATM (0.35) | VCAM1SRD5A2TXNRD1ATMTDP1 | |
| SCHEMBL10434021 | 0.84 | ATM (0.35) | VCAM1SRD5A2TXNRD1ATMTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0368410-A2 | Optically active benzoxazines and bezothiazines and a process for their stereospecific preparation | GIST-BROCADES N.V. (NL) | 1990-05-16 | — | — | EP | disclosed |