Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CASP2 | P42575 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | NAAA | Q02083 | 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 | |
|---|---|---|---|---|
| SCHEMBL22600490 | 0.93 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2MEN1KMT2ASIGMAR1 | |
| SCHEMBL13032706 | 0.93 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2MEN1KMT2ASIGMAR1 | |
| SCHEMBL2875261 | 0.91 | ALDH1A1 (0.72) | ALDH1A1SMN1; SMN2MEN1KMT2ASIGMAR1 | |
| SCHEMBL26178992 | 0.88 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2MEN1KMT2ASIGMAR1 | |
| SCHEMBL1900359 | 0.88 | SIGMAR1 (0.67) | ALDH1A1SMN1; SMN2MEN1KMT2ASIGMAR1 | |
| SCHEMBL27391609 | 0.88 | CASP2 (0.53) | ALDH1A1SMN1; SMN2MEN1KMT2ASIGMAR1 | |
| SCHEMBL24410021 | 0.87 | MEN1 (0.46) | ALDH1A1SMN1; SMN2MEN1KMT2ASIGMAR1 | |
| SCHEMBL18623944 | 0.87 | SIGMAR1 (0.54) | ALDH1A1SMN1; SMN2MEN1KMT2ASIGMAR1 | |
| SCHEMBL29300550 | 0.87 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2MEN1KMT2ASIGMAR1 | |
| SCHEMBL7445738 | 0.86 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2MEN1KMT2ASIGMAR1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5874573-A | Compounds with chelation affinity and selectivity for first transition series elements: use in medical therapy | CONCAT, INC. (US) | 1999-02-23 | — | — | US | claimed |
| EP-1382332-A1 | Method for inhibiting bacterial or fungal growth using a polyamine derivative as complexing agent | Chelator LLC (US) | 2004-01-21 | — | — | EP | disclosed |
| US-6165996-A | Compounds with chelation affinity selectivity for first transition series elements: use in medical therapy and diagnosis | CONCAT, INC. (US) | 2000-12-26 | — | — | US | disclosed |
| EP-0955044-A2 | Method of inhibiting bacterial or fungal growth using a complexing agent | CONCAT LTD. (US) | 1999-11-10 | — | — | EP | disclosed |
| EP-0841951-A2 | COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS, AND THEIR USE IN MEDICAL THERAPY AND DIAGNOSIS | CONCAT LTD. (US) | 1998-05-20 | — | — | EP | disclosed |
| WO-1997001360-A9 | COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS AND THEIR USE IN MEDICAL THERAPY AND DIAGNOSIS | — | 1997-07-17 | — | — | WO | disclosed |
| WO-1997001360-A2 | COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS AND THEIR USE IN MEDICAL THERAPY AND DIAGNOSIS | CONCAT, LTD. (US) | 1997-01-16 | — | — | WO | disclosed |