Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.46 |
| ▸ | ACLY | P53396 | 2/20 | 0.45 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | SRC | P12931 | 3/20 | 0.39 |
| ▸ | SYK | P43405 | 3/20 | 0.39 |
| ▸ | ZAP70 | P43403 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.35 |
| ▸ | MET | P08581 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10013472 | 0.87 | SMPD3 (0.53) | SMPD3PDPK1ADRB2LOXL2CYP2A6 | |
| SCHEMBL21930834 | 0.79 | ACLY (0.45) | SMPD3ACLYPDPK1CYP1A1CYP1A2 | |
| SCHEMBL27398935 | 0.79 | SMPD3 (0.46) | SMPD3PDPK1ADRB2LOXL2CYP2A6 | |
| SCHEMBL558643 | 0.75 | PDPK1 (0.63) | SMPD3PDPK1ADRB2LOXL2CYP2A6 | |
| SCHEMBL15668521 | 0.74 | CYP1A1 (0.44) | SMPD3CYP1A1CYP1A2CYP1B1ADRB2 | |
| SCHEMBL21999853 | 0.73 | ACLY (0.50) | SMPD3ACLYPDPK1CYP1A1CYP1A2 | |
| Water SCHEMBL20550178 | 0.73 | ADRB2 (0.62) | SMPD3PDPK1ADRB2LOXL2CYP2A6 | |
| SCHEMBL30579592 | 0.73 | SMPD3 (0.51) | SMPD3PDPK1ADRB2LOXL2CYP2A6 | |
| SCHEMBL3386179 | 0.73 | CYP2A6 (0.53) | SMPD3ACLYPDPK1CYP1A1CYP1A2 | |
| SCHEMBL468088 | 0.73 | PDPK1 (0.60) | PDPK1CYP1A1CYP1A2CYP1B1LOXL2 |
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-1372732-A1 | ENZYME-ACTIVATED CYTOSTATIC CONJUGATES WITH INTEGRIN LIGANDS | Bayer HealthCare AG (DE) | 2004-01-02 | — | — | EP | claimed |
| WO-2002072151-A1 | ENZYME-ACTIVATED CYTOSTATIC CONJUGATES WITH INTEGRIN LIGANDS | BAYER AKTIENGESELLSCHAFT (DE) | 2002-09-19 | — | — | WO | claimed |
| US-7220824-B1 | Integrin-mediated drug targeting | BAYER AKTIENGESELLSCHAFT (DE) | 2007-05-22 | — | — | US | disclosed |
| EP-1347783-A1 | CONJUGATES OF INTEGRIN RECEPTOR ANTAGONISTS AND A CYTOSTATIC AGENT HAVING SPECIFICALLY CLEAVABLE LINKING UNITS | Bayer Aktiengesellschaft (DE) | 2003-10-01 | — | — | EP | disclosed |
| WO-2002051444-A1 | CONJUGATES OF INTEGRIN RECEPTOR ANTAGONISTS AND A CYTOSTATIC AGENT HAVING SPECIFICALLY CLEAVABLE LINKING UNITS | BAYER AKTIENGESELLSCHAFT (DE) | 2002-07-04 | — | — | WO | disclosed |