Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ACE | P12821 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.32 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.32 |
| ▸ | ITGAV | P06756 | 1/20 | 0.32 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7315180 | 0.84 | ESR1 (0.39) | ESR1KCNH2ALDH1A1SIGMAR1NPC1 | |
| SCHEMBL7308293 | 0.80 | KCNH2 (0.41) | ESR1KCNH2SIGMAR1LMNACYP1A2 | |
| SCHEMBL7315267 | 0.79 | FBP1 (0.40) | ALDH1A1NPC1RAB9ATP53CYP1A2 | |
| SCHEMBL7311696 | 0.77 | ESR1 (0.44) | ESR1KCNH2ALDH1A1SIGMAR1NPC1 | |
| SCHEMBL16397093 | 0.72 | AKR1B1 (0.47) | ALDH1A1KDM4ELMNATSHRCYP2C19 | |
| SCHEMBL7310785 | 0.71 | AKR1B1 (0.34) | ALDH1A1SIGMAR1NPC1RAB9AKDM4E | |
| SCHEMBL8986800 | 0.71 | NPC1 (0.62) | SIGMAR1NPC1RAB9ALMNATP53 | |
| SCHEMBL8986798 | 0.71 | NPC1 (0.62) | SIGMAR1NPC1RAB9ALMNATP53 | |
| SCHEMBL7317232 | 0.70 | CA1 (0.38) | — | |
| SCHEMBL7319801 | 0.69 | CYP3A4 (0.34) | ALDH1A1RAB9AKDM4ELMNADPP4 |
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-RE31617-E | ANTICOAGULANTS; HYPOTENSIVE AND BRONCHODILATOR AGENTS | BRISTOL-MYERS COMPANY (US) | 1984-06-26 | — | — | US | disclosed |
| US-3932407-A | BRONCHODILATORS, HYPOTENSIVE AGENTS, ANTICOAGULANTS | BRISTOL-MYERS COMPANY (US) | 1976-01-13 | — | — | US | disclosed |