Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 4/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.33 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CSF1R | P07333 | 1/20 | 0.32 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.31 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.31 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.31 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 2/20 | 0.31 |
| ▸ | PTGES | O14684 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 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 | |
|---|---|---|---|---|
| SCHEMBL7401084 | 0.77 | SMPD1 (0.50) | SMPD1POLBALDH1A1KMT2AKDM4E | |
| SCHEMBL12334447 | 0.72 | SMPD1 (0.64) | SMPD1POLBALDH1A1NPC1RAB9A | |
| SCHEMBL1527370 | 0.69 | SMPD1 (0.72) | SMPD1ALDH1A1KMT2ATP53TSHR | |
| SCHEMBL10194130 | 0.69 | SMPD1 (0.60) | SMPD1POLBALDH1A1TP53TSHR | |
| SCHEMBL5888236 | 0.67 | SMPD1 (0.58) | SMPD1POLBALDH1A1NPC1RAB9A | |
| SCHEMBL12621075 | 0.67 | SMPD1 (0.58) | SMPD1ALDH1A1KMT2ATP53TSHR | |
| SCHEMBL2182229 | 0.65 | SMPD1 (0.52) | SMPD1ALDH1A1TP53KDM4E | |
| SCHEMBL31286707 | 0.64 | SMPD1 (0.50) | SMPD1KMT2ATSHR | |
| SCHEMBL27367994 | 0.63 | ALDH1A1 (0.54) | POLBALDH1A1NPC1RAB9AKMT2A | |
| SCHEMBL31286775 | 0.63 | SMPD1 (0.55) | SMPD1ALDH1A1 |
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-5710159-A | IMIDAZOLIN-2-YLAMINOPROPOXY)ISOXAZOL-5-CARBONYLAMINO-2 -BENZYLOXYCARBONYLAMINOPROPIONIC ACID AS ANTIINFLAMMATORY AGENTS, BONE DEGRADATION, TUMORS, METASTASES AND THROMBOSIS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-01-20 | — | — | US | disclosed |