Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | CA12 | O43570 | 1/20 | 0.58 |
| ▸ | CA1 | P00915 | 1/20 | 0.58 |
| ▸ | CA2 | P00918 | 1/20 | 0.58 |
| ▸ | ESR1 | P03372 | 1/20 | 0.58 |
| ▸ | CA7 | P43166 | 1/20 | 0.58 |
| ▸ | CA9 | Q16790 | 1/20 | 0.58 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.58 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | MAOA | P21397 | 1/20 | 0.56 |
| ▸ | NAMPT | P43490 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.53 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.52 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.51 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL10586967 | 0.90 | HSD17B10 (0.63) | HTTSMN1; SMN2CA12CA1CA2 | |
| SCHEMBL8746140 | 0.88 | CA12 (0.59) | HTTSMN1; SMN2CA12CA1CA2 | |
| SCHEMBL12199135 | 0.87 | CA1 (0.68) | HTTSMN1; SMN2CA12CA1CA2 | |
| SCHEMBL7482018 | 0.86 | CA12 (0.58) | HTTSMN1; SMN2CA12CA1CA2 | |
| SCHEMBL7766764 | 0.86 | CYP4F2 (0.70) | HTTSMN1; SMN2CA12CA1CA2 | |
| SCHEMBL571227 | 0.84 | CA1 (0.63) | HTTSMN1; SMN2CA12CA1CA2 | |
| SCHEMBL9043770 | 0.83 | CA12 (0.54) | HTTSMN1; SMN2CA12CA1CA2 | |
| SCHEMBL1244233 | 0.82 | CA1 (0.61) | HTTSMN1; SMN2CA12CA1CA2 | |
| SCHEMBL10609210 | 0.82 | CA1 (0.61) | HTTSMN1; SMN2CA12CA1CA2 | |
| SCHEMBL481332 | 0.82 | CA1 (0.61) | HTTSMN1; SMN2CA12CA1CA2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102911176-B | Preparation method of pemetrexed disodium | DEZHOU DEYAO PHARMACEUTICAL CO LTD | 2015-07-22 | — | — | CN | disclosed |
| US-5907068-A | TRIFLUOROMETHYLSUBSTITUTED COMPOUND INCLUDED IN PEPTIDES | ZENECA INC. (US) | 1999-05-25 | — | — | US | disclosed |
| US-5726158-A | INHIBITORS OF HUMAN LEUKOCYTE ELASTASE USEFUL IN TREATING TISSUE DEGENERATIVE DISEASES; TRIFLUOROMETHYL KETONE SUBSTITUTED DI-, TRI-, AND TETRA-PEPTIDE DERIVATIVES | ZENECA INC. (US) | 1998-03-10 | — | — | US | disclosed |
| US-5414132-A | Peptide intermediates | ZENECA INC. (US) | 1995-05-09 | — | — | US | disclosed |
| US-5194588-A | Inhibitors of human leukocyte elastase, di-, tri- and tetra-peptides | ICI AMERICAS INC. (US) | 1993-03-16 | — | — | US | disclosed |
| EP-0189305-B1 | PEPTIDE DERIVATIVES | ICI AMERICAS INC. (US) | 1992-07-29 | — | — | EP | disclosed |
| US-5055450-A | Di-, tri- and tetrapeptides as inhibitors of human leukocyte elastase | ICI AMERICAS INC. (US) | 1991-10-08 | — | — | US | disclosed |
| US-4910190-A | Containing a nitrogen containing heterocycle ring structure | ICI AMERICAS INC. (US) | 1990-03-20 | — | — | US | disclosed |
| EP-0189305-A2 | Peptide derivatives | ICI AMERICAS INC. (US) | 1986-07-30 | — | — | EP | disclosed |