Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.60 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.54 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.50 |
| ▸ | FEN1 | P39748 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | TNKS | O95271 | 1/20 | 0.47 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.47 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.47 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.47 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.47 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.47 |
| ▸ | TLR4 | O00206 | 1/20 | 0.47 |
| ▸ | TLR2 | O60603 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | KMO | O15229 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9448941 | 0.85 | ALDH1A1 (0.54) | AKR1C3ERCC5FEN1NPC1PARP10 | |
| SCHEMBL9448898 | 0.83 | ABCG2 (0.59) | NPC1ALDH1A1MAOBCYP1A2CYP2C9 | |
| SCHEMBL11813204 | 0.82 | ALDH1A1 (0.48) | AKR1C3TLR4TLR2ALDH1A1 | |
| SCHEMBL29693792 | 0.80 | RAB9A (0.47) | NPC1ALDH1A1KDM4ELMNASMN1; SMN2 | |
| SCHEMBL8870318 | 0.80 | KMT2A (0.50) | NPC1ALDH1A1KAT6AKDM4EMAOB | |
| SCHEMBL82420 | 0.79 | ALDH1A1 (0.60) | NPC1PKMALDH1A1MAOBCYP1A2 | |
| SCHEMBL9448786 | 0.79 | ALDH1A1 (0.49) | NPC1ALDH1A1KAT6AKDM4ELMNA | |
| SCHEMBL1927123 | 0.79 | KMO (0.55) | HDAC8ERCC5FEN1ALDH1A1KAT6A | |
| SCHEMBL9671284 | 0.76 | AKR1C3 (0.62) | AKR1C3HDAC8ERCC5FEN1NPC1 | |
| SCHEMBL21887184 | 0.76 | AKR1C3 (0.78) | AKR1C3HDAC8ERCC5FEN1NPC1 |
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 |