Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.36 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | PLAU | P00749 | 3/20 | 0.34 |
| ▸ | F2 | P00734 | 1/20 | 0.34 |
| ▸ | PLG | P00747 | 1/20 | 0.34 |
| ▸ | PLAT | P00750 | 1/20 | 0.34 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CRHBP | P24387 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8428894 | 0.88 | BACE1 (0.36) | PDK1PDK2PDK3PDK4RAB9A | |
| SCHEMBL8429053 | 0.88 | BACE1 (0.36) | PDK1PDK2PDK3PDK4RAB9A | |
| SCHEMBL8431034 | 0.88 | ALDH1A1 (0.41) | RAB9AALDH1A1TP53USP2LTA4H | |
| SCHEMBL8429203 | 0.88 | TACR1 (0.33) | — | |
| SCHEMBL8431230 | 0.88 | RAB9A (0.40) | PDK1PDK2PDK3PDK4RAB9A | |
| SCHEMBL8432438 | 0.87 | RAB9A (0.37) | PDK1PDK2PDK3PDK4RAB9A | |
| SCHEMBL8431432 | 0.86 | RAB9A (0.36) | RAB9AUSP2LTA4HPLAUF2 | |
| SCHEMBL8430957 | 0.85 | PLAU (0.38) | RAB9AALDH1A1TP53USP2LTA4H | |
| SCHEMBL8431238 | 0.85 | RAB9A (0.39) | PDK1PDK2PDK3PDK4RAB9A | |
| SCHEMBL8429153 | 0.85 | SIRT2 (0.37) | RAB9AALDH1A1TP53USP2LTA4H |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5952381-A | SELECTIVELY INHIBITING OR ANTAGONIZING THE INTEGRINS; ANTITUMOR AGENTS, ANTIARTHRITIC AGENTS, VIRICIDES, MICROBIOCIDES; TREATING OSTEOPOROSIS, SKIN DISORDERS | G. D. SEARLE & CO. (US) | 1999-09-14 | — | — | US | claimed |
| US-5952381-A | SELECTIVELY INHIBITING OR ANTAGONIZING THE INTEGRINS; ANTITUMOR AGENTS, ANTIARTHRITIC AGENTS, VIRICIDES, MICROBIOCIDES; TREATING OSTEOPOROSIS, SKIN DISORDERS | G. D. SEARLE & CO. (US) | 1999-09-14 | — | — | US | disclosed |