Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.58 |
| ▸ | LMNA | P02545 | 3/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.55 |
| ▸ | HPGD | P15428 | 5/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3651583 | 0.91 | ALDH1A1 (0.71) | ALDH1A1KMT2ALMNAKDM4EHPGD | |
| SCHEMBL3649059 | 0.90 | ALDH1A1 (0.71) | ALDH1A1KMT2ALMNAKDM4EHPGD | |
| SCHEMBL3648391 | 0.90 | ALDH1A1 (0.70) | ALDH1A1KMT2ALMNAKDM4EHPGD | |
| SCHEMBL3645804 | 0.90 | ALDH1A1 (0.67) | ALDH1A1KMT2ALMNAKDM4EHPGD | |
| SCHEMBL3650469 | 0.89 | ALDH1A1 (0.64) | ALDH1A1KMT2ALMNAKDM4EHPGD | |
| SCHEMBL3644287 | 0.89 | ALDH1A1 (0.64) | ALDH1A1KMT2ALMNAKDM4EHPGD | |
| SCHEMBL2751786 | 0.87 | ALDH1A1 (0.64) | ALDH1A1KMT2ALMNAKDM4EHPGD | |
| SCHEMBL3652046 | 0.86 | ALDH1A1 (0.63) | ALDH1A1KMT2ALMNAKDM4EHPGD | |
| SCHEMBL2750092 | 0.85 | KMT2A (0.63) | ALDH1A1KMT2ALMNAKDM4EHPGD | |
| SCHEMBL3646193 | 0.85 | ALDH1A1 (0.73) | ALDH1A1KMT2ALMNAKDM4EHPGD |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8084470-B2 | Substituted nicotinamide compounds and uses thereof | GRUENENTHAL GMBH (DE) | 2011-12-27 | — | — | US | claimed |
| EP-2188258-A1 | SUBSTITUTED NICOTINAMIDE COMPOUNDS AND THE USE THEREOF IN PHARMACEUTICAL PRODUCTS | Grünenthal GmbH (DE) | 2010-05-26 | — | — | EP | claimed |
| WO-2009036938-A1 | SUBSTITUTED NICOTINAMIDE COMPOUNDS AND THE USE THEREOF IN PHARMACEUTICAL PRODUCTS | Grünenthal GmbH (DE) | 2009-03-26 | — | — | WO | claimed |
| US-20090076086-A1 | SUBSTITUTED NICOTINAMIDE COMPOUNDS AND USES THEREOF | GRUENENTHAL GMBH (DE) | 2009-03-19 | — | — | US | claimed |
| US-8084470-B2 | Substituted nicotinamide compounds and uses thereof | GRUENENTHAL GMBH (DE) | 2011-12-27 | — | — | US | disclosed |
| EP-2188258-A1 | SUBSTITUTED NICOTINAMIDE COMPOUNDS AND THE USE THEREOF IN PHARMACEUTICAL PRODUCTS | Grünenthal GmbH (DE) | 2010-05-26 | — | — | EP | disclosed |
| WO-2009036938-A1 | SUBSTITUTED NICOTINAMIDE COMPOUNDS AND THE USE THEREOF IN PHARMACEUTICAL PRODUCTS | Grünenthal GmbH (DE) | 2009-03-26 | — | — | WO | disclosed |
| US-20090076086-A1 | SUBSTITUTED NICOTINAMIDE COMPOUNDS AND USES THEREOF | GRUENENTHAL GMBH (DE) | 2009-03-19 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090076086-A1 | SUBSTITUTED NICOTINAMIDE COMPOUNDS AND USES THEREOF | NNT, NAMPT, NADK | ALDH1A1 281/4885KMT2A 1677/4885LMNA 547/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.