Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 1/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 7/20 | 0.49 |
| ▸ | AKR1C3 | P42330 | 6/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 5/20 | 0.49 |
| ▸ | AKR1C2 | P52895 | 5/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | SLC22A6 | Q4U2R8 | 2/20 | 0.49 |
| ▸ | CDC42 | P60953 | 1/20 | 0.49 |
| ▸ | RAC1 | P63000 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.46 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5010479 | 1.00 | RAB9A (0.66) | RAB9AALDH1A1PKMKMT2AGAA | |
| SCHEMBL3508351 | 0.84 | RAB9A (0.73) | RAB9AALDH1A1PKMKMT2AGAA | |
| SCHEMBL6450091 | 0.81 | RAB9A (1.00) | RAB9AALDH1A1PKMKMT2AGAA | |
| SCHEMBL5367399 | 0.81 | RAB9A (0.58) | RAB9AALDH1A1PKMKMT2AGAA | |
| SCHEMBL1968508 | 0.80 | LMNA (0.53) | ALDH1A1PKMGAAPTGS2AKR1C3 | |
| SCHEMBL28846051 | 0.79 | PTGS2 (0.56) | KMT2APTGS2AKR1C3PTGS1AKR1C2 | |
| SCHEMBL11208401 | 0.77 | RAB9A (0.68) | RAB9AALDH1A1PKMKMT2AGAA | |
| SCHEMBL59197 | 0.77 | PTGS2 (0.74) | ALDH1A1PTGS2AKR1C3PTGS1AKR1C2 | |
| SCHEMBL6162904 | 0.76 | RAB9A (0.66) | RAB9AALDH1A1PKMKMT2AGAA | |
| SCHEMBL350067 | 0.76 | PTGS2 (0.71) | RAB9AKMT2APTGS2AKR1C3PTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7291645-B2 | Phenylalanine derivatives as alpha 4 integrin inhibitors | ELAN PHARMACEUTICALS, INC. (US) | 2007-11-06 | — | — | US | disclosed |
| US-20040127486-A1 | Phenylalanine derivatives as alpha 4 integrin inhibitors | ELAN PHARMACEUTICALS, INC. | 2004-07-01 | — | — | US | disclosed |
| US-6689781-B2 | TREATING AN INFLAMMATORY CONDITION IN A MAMMALIAN PATIENT WHICH CONDITION IS MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. | 2004-02-10 | — | — | US | disclosed |
| US-20020055509-A1 | Phenylalanine derivatives as alpha 4 integrin inhibitors | BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) | 2002-05-09 | — | — | US | disclosed |
| WO-2002008206-A1 | 3-AMINO-2-(4-AMINOCARBONYLOXY)PHENYL-PROPIONIC ACID DERIVATIVES AS ALPHA-4- INTEGRIN INHIBITORS | ELAN PHARMACEUTICALS, INC. (US) | 2002-01-31 | — | — | WO | 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-20020055509-A1 | Phenylalanine derivatives as alpha 4 integrin inhibitors | ITGB4, ITGA4, ITGB3 | RAB9A 1554/4885ALDH1A1 1200/4885PKM 729/4885 |
| US-20040127486-A1 | Phenylalanine derivatives as alpha 4 integrin inhibitors | ITGB4, ITGA4, ITGB3 | RAB9A 1554/4885ALDH1A1 1200/4885PKM 729/4885 |
“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.