Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | CRHBP | P24387 | 1/20 | 0.49 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.46 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.46 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.46 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.46 |
| ▸ | FLT1 | P17948 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11602247 | 0.99 | VCAM1 (0.53) | VCAM1ALDH1A1TDP1HCAR3KMT2A | |
| SCHEMBL23507217 | 0.96 | VCAM1 (0.56) | VCAM1ALDH1A1TDP1HCAR3KMT2A | |
| SCHEMBL12981598 | 0.88 | ALDH1A1 (0.60) | ALDH1A1TDP1HCAR3KMT2AMAPT | |
| SCHEMBL2953971 | 0.87 | PDK1 (0.62) | VCAM1ALDH1A1KMT2AMAPTRAB9A | |
| SCHEMBL7415291 | 0.85 | VCAM1 (0.50) | VCAM1ALDH1A1TDP1HCAR3KMT2A | |
| SCHEMBL7397942 | 0.85 | VCAM1 (0.50) | VCAM1ALDH1A1TDP1HCAR3KMT2A | |
| SCHEMBL8215974 | 0.85 | HCAR3 (0.64) | HCAR3MAPTPDK1LMNA | |
| SCHEMBL9779790 | 0.83 | HCAR3 (0.62) | HCAR3MAPTPDK1LMNA | |
| SCHEMBL18148192 | 0.83 | VCAM1 (0.57) | VCAM1ALDH1A1KMT2AMAPTRAB9A | |
| SCHEMBL11748103 | 0.83 | PDK1 (0.55) | VCAM1ALDH1A1TDP1HCAR3MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0817629-A4 | INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | MERCK & CO INC (US) | 2000-03-08 | — | — | EP | disclosed |
| EP-0817629-A1 | INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | Merck & Co., Inc. (US) | 1998-01-14 | — | — | EP | disclosed |