Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16197340 | 0.91 | CYP1A2 (0.40) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL16851818 | 0.81 | L3MBTL1 (0.41) | ALDH1A1L3MBTL1HIF1ANPBWR1MCHR1 | |
| SCHEMBL30029518 | 0.81 | L3MBTL1 (0.41) | ALDH1A1L3MBTL1HIF1ANPBWR1MCHR1 | |
| SCHEMBL5083034 | 0.80 | SMN1; SMN2 (0.42) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5206947 | 0.80 | IDO1 (0.46) | ALDH1A1L3MBTL1SMN1; SMN2MAPTHTT | |
| SCHEMBL31317363 | 0.79 | ALDH1A1 (0.38) | ALDH1A1L3MBTL1HPGDSMN1; SMN2MAPT | |
| SCHEMBL8862264 | 0.79 | CYP19A1 (0.41) | ALDH1A1CYP1A2CYP3A4CYP2C19L3MBTL1 | |
| SCHEMBL92936 | 0.79 | L3MBTL1 (0.40) | ALDH1A1L3MBTL1NPSR1MEN1KMT2A | |
| SCHEMBL9583765 | 0.79 | KMT2A (0.46) | ALDH1A1L3MBTL1SMN1; SMN2MAPTMEN1 | |
| SCHEMBL20985435 | 0.79 | ALDH1A1 (0.38) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8981094-B2 | Piperidine/piperazine derivatives | JANSSEN PHARMACEUTICA N.V. (BE) | 2015-03-17 | — | — | US | disclosed |
| US-8981094-B2 | Piperidine/piperazine derivatives | JANSSEN PHARMACEUTICA N.V. (BE) | 2015-03-17 | — | — | US | disclosed |
| EP-2152270-B1 | PIPERIDINE/PIPERAZINE DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2015-03-04 | — | — | EP | disclosed |
| US-20100190789-A1 | PIPERIDINE/PIPERAZINE DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 2010-07-29 | — | — | US | disclosed |
| US-20100190789-A1 | PIPERIDINE/PIPERAZINE DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 2010-07-29 | — | — | US | disclosed |
| EP-1664051-A4 | PYRROLOPYRIDAZINE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS | BRISTOL MYERS SQUIBB CO (US) | 2008-12-31 | — | — | EP | disclosed |
| WO-2008148868-A1 | PIPERIDINE/PIPERAZINE DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-12-11 | — | — | WO | disclosed |
| EP-1664051-A2 | PYRROLOPYRIDAZINE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS | Bristol-Myers Squibb Company (US) | 2006-06-07 | — | — | EP | disclosed |
| US-7030112-B2 | Pyrrolopyridazine compounds and methods of use thereof for the treatment of proliferative disorders | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-04-18 | — | — | US | disclosed |
| WO-2005030144-A2 | PYRROLOPYRIDAZINE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-04-07 | — | — | WO | disclosed |
| US-20040209886-A1 | Pyrrolopyridazine compounds and methods of use thereof for the treatment of proliferative disorders | BRISTOL-MYERS SQUIBB COMPANY | 2004-10-21 | — | — | 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 (2 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-20040209886-A1 | Pyrrolopyridazine compounds and methods of use thereof for the treatment of proliferative disorders | PCNA, DPYD, MALT1 | ALDH1A1 544/4885CYP1A2 845/4885CYP3A4 1545/4885 |
| US-20100190789-A1 | PIPERIDINE/PIPERAZINE DERIVATIVES | NR2C2, NR5A2, DGAT1 | ALDH1A1 1064/4885CYP1A2 1047/4885CYP3A4 3191/4885 |
“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.