Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | STS | P08842 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2829330 | 0.93 | LMNA (0.43) | MEN1KMT2ALMNACYP3A4HPGD | |
| Hydrochloric Acid SCHEMBL2829328 | 0.91 | LMNA (0.42) | MEN1KMT2ALMNACYP3A4HPGD | |
| SCHEMBL2828986 | 0.81 | LMNA (0.38) | MEN1KMT2ALMNACYP3A4HPGD | |
| SCHEMBL24418101 | 0.80 | HPGD (0.34) | MEN1KMT2ALMNACYP3A4HPGD | |
| SCHEMBL3650538 | 0.79 | TSHR (0.38) | MEN1KMT2ALMNACYP3A4CA1 | |
| SCHEMBL30468187 | 0.79 | TSHR (0.38) | MEN1KMT2ALMNACYP3A4CA1 | |
| SCHEMBL13984986 | 0.79 | TSHR (0.38) | MEN1KMT2ALMNACYP3A4CA1 | |
| SCHEMBL3675243 | 0.79 | TSHR (0.38) | MEN1KMT2ALMNACYP3A4CA1 | |
| SCHEMBL15144345 | 0.79 | TSHR (0.38) | MEN1KMT2ALMNACYP3A4CA1 | |
| SCHEMBL2829393 | 0.79 | GABRR1 (0.37) | KMT2ALMNAMAPTHSD17B10 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1791808-B1 | PROCESS FOR THE PREPARATION OF 4,5-DIAMINO SHIKIMICACID | HOFFMANN LA ROCHE (CH) | 2010-07-14 | — | — | EP | disclosed |
| US-7514580-B2 | Process for the preparation of 4,5-diamino shikimic acid derivatives | HOFFMANN-LA ROCHE INC. (US) | 2009-04-07 | — | — | US | disclosed |
| EP-1791808-A1 | PROCESS FOR THE PREPARATION OF 4,5-DIAMINO SHIKIMICACID | F.HOFFMANN-LA ROCHE AG (CH) | 2007-06-06 | — | — | EP | disclosed |
| WO-2006024436-A1 | PROCESS FOR THE PREPARATION OF 4,5-DIAMINO SHIKIMICACID | F. HOFFMANN-LA ROCHE AG (CH) | 2006-03-09 | — | — | WO | disclosed |
| US-20060047002-A1 | Process for the preparation of 4,5-diamino shikimic acid derivatives | HOFFMANN-LA ROCHE INC. | 2006-03-02 | — | — | 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-20060047002-A1 | Process for the preparation of 4,5-diamino shikimic acid derivatives | NEU4, NEU1, NEU3 | MEN1 3031/4885KMT2A 928/4885LMNA 2678/4885 |
“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.