Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | CASP3 | P42574 | 1/20 | 0.46 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.46 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.46 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | COMT | P21964 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | METAP2 | P50579 | 1/20 | 0.43 |
| ▸ | METAP1 | P53582 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL27489489 | 0.80 | PARP1 (0.64) | PARP1ALDH1A1ALOX12LMNANPC1 | |
| SCHEMBL27751301 | 0.79 | PARP1 (0.62) | PARP1ALDH1A1ALOX12LMNANPC1 | |
| SCHEMBL6642077 | 0.78 | P2RX7 (0.50) | ALDH1A1LMNANPC1RAB9ATSHR | |
| SCHEMBL28050846 | 0.76 | PARP1 (0.72) | PARP1ALDH1A1ALOX12LMNANPC1 | |
| SCHEMBL111826 | 0.74 | PARP1 (0.70) | PARP1ALDH1A1ALOX12LMNANPC1 | |
| SCHEMBL29749881 | 0.74 | PARP1 (0.70) | PARP1ALDH1A1ALOX12LMNANPC1 | |
| SCHEMBL8801910 | 0.74 | ALDH1A1 (0.41) | ALDH1A1LMNATSHRKDM4EMAPT | |
| SCHEMBL8978021 | 0.73 | NR4A1 (0.53) | ALDH1A1LMNANPC1RAB9ATSHR | |
| SCHEMBL29883614 | 0.73 | NR4A1 (0.53) | ALDH1A1LMNANPC1RAB9ATSHR | |
| SCHEMBL2632726 | 0.73 | PARP1 (0.68) | PARP1ALDH1A1ALOX12LMNANPC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0466730-B1 | GEMINAL BISPHOSPHONIC ACIDS AND DERIVATIVES AS ANTI-ARTHRITIC AGENTS | THE UPJOHN COMPANY (US) | 1993-07-21 | — | — | EP | disclosed |
| US-5220021-A | Geminal bisphosphonic acids and derivatives as anti-arthritic agents | THE UPJOHN COMPANY (US) | 1993-06-15 | — | — | US | disclosed |
| WO-1990012017-A1 | GEMINAL BISPHOSPHONIC ACIDS AND DERIVATIVES AS ANTI-ARTHRITIC AGENTS | THE UPJOHN COMPANY (US) | 1990-10-18 | — | — | WO | disclosed |