Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | STS | P08842 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL8310177 | 0.86 | KMT2A (0.50) | KMT2AHTTTDP1TSHRGAA | |
| SCHEMBL6422095 | 0.83 | CCR5 (0.42) | TSHRALDH1A1MAPT | |
| SCHEMBL4630124 | 0.83 | TSHR (0.50) | TSHRKDM4EALDH1A1MAPTPKM | |
| SCHEMBL8364745 | 0.83 | TSHR (0.52) | KMT2ATSHRKDM4EMEN1SMN1; SMN2 | |
| SCHEMBL6425327 | 0.83 | CCR5 (0.44) | TSHRMAPT | |
| SCHEMBL4631302 | 0.80 | ALDH1A1 (0.60) | TSHRSMN1; SMN2ALDH1A1 | |
| SCHEMBL8364780 | 0.79 | TSHR (0.50) | TSHRKDM4EALDH1A1PKMPOLB | |
| SCHEMBL337418 | 0.78 | ALDH1A1 (0.65) | KMT2AHTTTDP1TSHRGAA | |
| SCHEMBL7600715 | 0.77 | ALDH1A1 (0.60) | TSHRGAAKDM4EALDH1A1HSD17B10 | |
| SCHEMBL7842189 | 0.76 | KLK5 (0.45) | TSHRKDM4EPKM |
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 |
|---|---|---|---|---|---|---|---|
| EP-1077942-B1 | CARBOXY SUBSTITUTED CARBOXAMIDE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | AVENTIS PHARMA INC (US) | 2005-01-12 | — | — | EP | disclosed |
| US-6316445-B1 | TACHYKININ RECEPTOR ANTAGONISTS | AVENTIS PHARMACEUTICALS INC. | 2001-11-13 | — | — | US | disclosed |
| EP-0946545-B1 | NOVEL CARBOXY SUBSTITUTED CYCLIC CARBOXAMIDE DERIVATIVES | AVENTIS PHARMA INC (US) | 2001-09-05 | — | — | EP | disclosed |
| EP-1077942-A1 | CARBOXY SUBSTITUTED CARBOXAMIDE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | Aventis Pharmaceuticals Inc. (US) | 2001-02-28 | — | — | EP | disclosed |
| WO-1999059972-A1 | CARBOXY SUBSTITUTED CARBOXAMIDE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | AVENTIS PHARMACEUTICALS INC. (US) | 1999-11-25 | — | — | WO | disclosed |
| US-5977139-A | Carboxysubstituted cyclic carboxamide derivatives | HOECHST MARION ROUSSEL, INC. (US) | 1999-11-02 | — | — | US | disclosed |
| EP-0946545-A1 | NOVEL CARBOXY SUBSTITUTED CYCLIC CARBOXAMIDE DERIVATIVES | HOECHST MARION ROUSSEL, INC. (US) | 1999-10-06 | — | — | EP | disclosed |
| WO-1998027085-A1 | NOVEL CARBOXY SUBSTITUTED CYCLIC CARBOXAMIDE DERIVATIVES | HOECHST MARION ROUSSEL, INC. (US) | 1998-06-25 | — | — | WO | disclosed |