Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN5 | P54829 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | TP53 | P04637 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | MMP3 | P08254 | 1/20 | 0.37 |
| ▸ | MMP7 | P09237 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | MMP8 | P22894 | 1/20 | 0.37 |
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
| ▸ | MMP14 | P50281 | 1/20 | 0.37 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 4/20 | 0.36 |
| ▸ | FDPS | P14324 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 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 | |
|---|---|---|---|---|
| SCHEMBL8529423 | 0.83 | KIF11 (0.38) | ALDH1A1MMP2MMP8PTPN1RAB9A | |
| SCHEMBL8528407 | 0.81 | PTPN1 (0.41) | PTPN5ALDH1A1FDPSPTPN1 | |
| SCHEMBL8531845 | 0.80 | MEN1 (0.38) | KMT2ANR1H4TP53PTPN1 | |
| SCHEMBL8532545 | 0.80 | KIF11 (0.40) | KMT2ANR1H4MMP2MMP9MMP13 | |
| SCHEMBL8530829 | 0.80 | ALDH1A1 (0.40) | ALDH1A1LMNAPOLBHPGDRAB9A | |
| SCHEMBL8531385 | 0.79 | GRM4 (0.39) | NR1H4ALDH1A1PTPN1MAPT | |
| SCHEMBL8532183 | 0.78 | MEN1 (0.44) | KMT2AALDH1A1LMNAMAPK1HPGD | |
| SCHEMBL8531478 | 0.78 | PTPN1 (0.30) | PTPN1 | |
| SCHEMBL8529288 | 0.77 | PTPN5 (0.43) | PTPN5KMT2AMMP1MMP2MMP3 | |
| SCHEMBL8583979 | 0.77 | — | — |
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-0752999-B1 | 2,4-DIPHOSPHONOGLUTARIC ACID DERIVATIVES, METHODS OF PREPARING SUCH COMPOUNDS AND DRUGS CONTAINING THEM | BOEHRINGER MANNHEIM GMBH (DE) | 1998-10-28 | — | — | EP | disclosed |
| US-5698541-A | DISEASES OF CALCIUM METABOLISM; OSTEOPOROSIS | BOEHRINGER MANNHEIM GMBH (DE) | 1997-12-16 | — | — | US | disclosed |