Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTNNB1 | P35222 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 4/20 | 0.51 |
| ▸ | DHODH | Q02127 | 1/20 | 0.51 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | PKM | P14618 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | POLB | P06746 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | MC4R | P32245 | 1/20 | 0.48 |
| ▸ | PPARG | P37231 | 1/20 | 0.48 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.48 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 5/20 | 0.48 |
| ▸ | RAB9A | P51151 | 5/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL9504925 | 0.84 | MAPT (0.51) | TP53KDM4EALDH1A1HPGDLMNA | |
| SCHEMBL17055675 | 0.81 | HSD17B10 (0.57) | TP53KDM4EALDH1A1HPGDLMNA | |
| SCHEMBL16767389 | 0.80 | PLA2G10 (0.60) | KDM4EALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL12172050 | 0.78 | TP53 (0.53) | CTNNB1TP53DHODHMCL1KDM4E | |
| SCHEMBL24572923 | 0.75 | KMO (0.54) | CTNNB1TP53DHODHMCL1KDM4E | |
| SCHEMBL2873897 | 0.75 | KMO (0.54) | DHODHALDH1A1HDAC6 | |
| SCHEMBL12521272 | 0.75 | HDAC1 (0.72) | TP53KDM4EALDH1A1KMT2AMEN1 | |
| SCHEMBL27882055 | 0.75 | HDAC1 (0.49) | MCL1ALDH1A1HDAC6 | |
| SCHEMBL6835667 | 0.74 | NPC1 (0.66) | TP53ALDH1A1HPGDLMNAKMT2A | |
| SCHEMBL2866244 | 0.73 | HDAC1 (0.71) | ALDH1A1HDAC6 |
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-1161415-B1 | N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS | AXYS PHARM INC (US) | 2005-07-13 | — | — | EP | disclosed |
| US-6593327-B2 | N-cyanomethyl amides which are cysteine protease inhibitors; treating osteoporosis; mixtures with bisphosphonates | AXYS PHARMACEUTICALS, INC. | 2003-07-15 | — | — | US | disclosed |
| US-20030119788-A1 | Novel compounds and compositions as protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2003-06-26 | — | — | US | disclosed |
| US-6476026-B1 | Compounds and compositions as protease inhibitors | AXYS PHARMACEUTICALS, INC. | 2002-11-05 | — | — | US | disclosed |
| US-20020086996-A1 | Novel compounds and compositions as protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2002-07-04 | — | — | 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-20020086996-A1 | Novel compounds and compositions as protease inhibitors | CTRL, SERPINB1, CPN1 | CTNNB1 3126/4885TP53 365/4885DHODH 2177/4885 |
| US-20030119788-A1 | Novel compounds and compositions as protease inhibitors | CTRL, SERPINB1, CPN1 | CTNNB1 3126/4885TP53 365/4885DHODH 2177/4885 |
“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.