Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 3/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | MMP14 | P50281 | 1/20 | 0.39 |
| ▸ | TGM2 | P21980 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL26118098 | 0.81 | AKR1C3 (0.54) | AKR1C3CA1CA2CES2CES1 | |
| SCHEMBL916414 | 0.80 | CA1 (0.58) | AKR1C3CA1CA2CES2CES1 | |
| SCHEMBL11378802 | 0.78 | AKR1C3 (0.78) | AKR1C3CA1CA2CES2CES1 | |
| SCHEMBL3468614 | 0.77 | TSHR (0.50) | CA1CA2ALDH1A1CA12KMT2A | |
| SCHEMBL3434694 | 0.76 | AKR1C3 (0.49) | AKR1C3CA1CA2CES2CES1 | |
| SCHEMBL27535411 | 0.74 | AKR1C3 (0.47) | AKR1C3CA1CA2CES2CES1 | |
| SCHEMBL23270417 | 0.70 | CA1 (0.57) | AKR1C3CA1CA2CES2CES1 | |
| SCHEMBL356640 | 0.70 | CA2 (0.57) | AKR1C3CA1CA2CES2CES1 | |
| Allyl Alcohol SCHEMBL28052693 | 0.70 | TSHR (0.55) | CA1CA2CES1ACHEALDH1A1 | |
| SCHEMBL2052557 | 0.70 | CA12 (0.54) | CA1CA2ALDH1A1LMNAPOLB |
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-20030219467-A1 | Method for the inhibition of methanogensis | THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA | 2003-11-27 | — | — | US | disclosed |
| WO-2003038109-A2 | METHOD FOR THE INHIBITION OF METHANOGENESIS | THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) | 2003-05-08 | — | — | WO | disclosed |