Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPID | Q08752 | 3/20 | 0.64 |
| ▸ | IDO1 | P14902 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | PPIB | P23284 | 1/20 | 0.50 |
| ▸ | PPIA | P62937 | 1/20 | 0.50 |
| ▸ | PPIG | Q13427 | 1/20 | 0.50 |
| ▸ | LTA4H | P09960 | 4/20 | 0.48 |
| ▸ | NAMPT | P43490 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL75205 | 0.82 | PPID (0.69) | PPIDMAPTSMN1; SMN2PPIBPPIA | |
| Hydrochloric Acid SCHEMBL3926946 | 0.81 | PPID (0.68) | PPIDMAPTSMN1; SMN2PPIBPPIA | |
| SCHEMBL182292 | 0.79 | — | — | |
| SCHEMBL1690706 | 0.78 | ALDH1A1 (0.61) | MEN1KMT2A | |
| SCHEMBL12559711 | 0.78 | PPID (0.64) | PPIDMAPTSMN1; SMN2PPIBPPIA | |
| SCHEMBL12643825 | 0.78 | PPID (1.00) | PPIDMAPTSMN1; SMN2PPIBPPIA | |
| Methylamine SCHEMBL8528191 | 0.78 | PPID (0.91) | PPIDMAPTSMN1; SMN2PPIBPPIA | |
| Benzylhydrazine SCHEMBL11719108 | 0.77 | IDO1 (0.74) | IDO1MAPTCYP3A4SMN1; SMN2CYP2D6 | |
| Benzylhydrazine SCHEMBL31491980 | 0.77 | IDO1 (0.81) | IDO1MAPTCYP3A4SMN1; SMN2CYP2D6 | |
| Hydrochloric Acid SCHEMBL702983 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0819000-A4 | NODULISPORIC ACID DERIVATIVES | MERCK & CO INC (US) | 2001-04-11 | — | — | EP | disclosed |
| EP-0819000-A1 | NODULISPORIC ACID DERIVATIVES | Merck & Co., Inc. (US) | 1998-01-21 | — | — | EP | disclosed |